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SMILES: C[C@@H]1C[C@H](CN1C(=O)C=C)n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)c(C)c2C)c2c(N)ncnc12

InChI Key: InChIKey=VTYXHVBTYQEMQD-RDTXWAMCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 376991   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM376991
PNG
(US9920060, 79)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)C=C)n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)c(C)c2C)c2c(N)ncnc12
Show InChI InChI=1S/C26H32N8O3/c1-7-20(35)33-12-18(10-14(33)2)34-25-22(24(27)28-13-29-25)23(31-34)26(37)30-19-9-8-17(15(3)16(19)4)11-21(36)32(5)6/h7-9,13-14,18H,1,10-12H2,2-6H3,(H,30,37)(H2,27,28,29)/t14-,18-/m1/s1
PDB
MMDB

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PC cid
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US Patent
n/an/a 17n/an/an/an/an/an/a



Universite Paris 7-Denis Diderot



Assay Description
For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...

Bioorg Med Chem 16: 1242-53 (2008)


BindingDB Entry DOI: 10.7270/Q2BR8VHD
More data for this
Ligand-Target Pair