Nintedanib - Small Molecule (ID:10151-999)

HMS LINCS ID: 10151-999
Name: Nintedanib
Alternative Names: BIBF-1120; Vargatef
LINCS ID: LSM-1152
PubChem CID: 56965894
ChEBI ID:
ChEMBL ID:
Molecular Mass: 539.25
InChi: InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)
InChi Key: XZXHXSATPCNXJR-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-07-12

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
AAK1, ABL1, ALK, AXL, BMP2K, BMPR2, CDK16, CDK17, CLK1, CLK4, CSF1R, DDR1, DDR2, FER, FGFR1, FLG, FLT1, FLT3, FLT4, GRK4, GSK3B, IGF1R, INSR, INSRR, JAK2, JAK3, Kdr, KDR, KIT, LCK, LRRK2, MAP2K1, MAP2K2, MAP2K5, MAP3K19, MAP3K2, MAP3K3, MAP3K7, MAP4K1, MELK, MERTK, MINK1, MST1, NTRK1, NTRK2, NTRK3, NUAK2, PDGFRA, PDGFRB, PIP4K2B, PIP5K1A, pknB, PLK4, PRKAA1, PRKAA2, PRKG1, PRPF4B, PTK2B, RET, RIOK1, RIOK3, RPS6KA2, RPS6KA3, SLK, SRPK1, SRPK2, SRPK3, STK10, STK11, STK16, STK26, STK3, STK4, TKT, TNIK, TTK, ULK3, YES1
2
(equivalent to 100 nM ≤ Kd < 1µM)
ACVR1, AIM1, AURKB, AURKC, BLK, BTK, CAMK1G, CAMKK1, CAMKK2, CDK14, CDK18, CDK4, CDK7, CHEK1, CLK2, CSNK1E, CSNK2A2, DCLK1, DCLK3, EPHA6, EPHB1, EPHB6, FGFR2, FGFR3, FGR, FYN, GSK3A, HIPK2, HIPK3, IKBKE, IRAK1, IRAK4, ITK, LATS1, LATS2, LTK, LYN, MAP3K11, MAP3K12, MAP3K13, MAP3K9, MAP4K2, MAP4K3, MAP4K4, MAP4K5, MAPK10, MAPK8, MARK3, MET, MUSK, MYLK, MYLK3, MYLK4, NUAK1, PAK3, PHKG1, PHKG2, PKD1, PKD2, PKN1, PRKD1, PRKD2, PRKD3, PTK2, RIPK1, RIPK4, RPS6KA1, RPS6KA4, RPS6KA5, RPS6KA6, RPS6KB1, SBK1, SIK1, SIK1B, SIK2, SRC, STK17A, STK17B, STK24, STK35, STK39, TBK1, TNK1, TPTEP2-CSNK1E, TXK, TYK2, ULK1, ULK2
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL2, ACVR1B, ACVRL1, C8orf44-SGK3, CAMK1, CAMK1D, CAMK2A, CAMK4, CDK2, CDKL2, CHUK, CSNK1D, CSNK2A1, DAPK2, DAPK3, DYRK1B, EIF2AK4, EPHA1, EPHA2, EPHA3, EPHB4, ERN1, FES, FGFR4, FRK, GRK1, GRK7, HCK, HIPK1, HIPK4, ICK, IRAK3, JAK1, MAP2K3, MAP2K4, MAP3K10, MAP3K15, MAPK7, MARK1, MARK2, MARK4, MAST1, MYLK2, MYO3B, OSR1, OXSR1, PAK2, PAK4, PAK5, PDK1, PDPK1, PF3D7_0217500, PKN2, PRKCQ, ROS1, SBK3, SGK3, STK33, TEK, TGFBR1, TIE1, TNK2, TSSK1B, TYRO3, WEE1, ZAP70
10
(confirmed non-binding)
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Batch Information for HMSL10151-999-2:

HMS LINCS Batch ID: 10151-999-2
Provider:
Provider Batch ID:
Salt: 999
Molecular Formula:
Molecular Weight:
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2016-05-27
Most Recent Update: 2016-12-02