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BDBM50109304 CHEMBL138888::[5-({[4-(3H-Imidazo[4,5-b]pyridin-2-yl)-thiophen-2-ylmethyl]-carbamoyl}-methyl)-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl]-acetic acid

SMILES: OC(=O)CC1c2ccccc2N(CC(=O)NCc2cc(cs2)-c2nc3ncccc3[nH]2)C(=O)c2ccccc12

InChI Key: InChIKey=GFRZKMANKTVPAH-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109304   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50109304
PNG
(CHEMBL138888 | [5-({[4-(3H-Imidazo[4,5-b]pyridin-2...)
Show SMILES OC(=O)CC1c2ccccc2N(CC(=O)NCc2cc(cs2)-c2nc3ncccc3[nH]2)C(=O)c2ccccc12
Show InChI InChI=1/C29H23N5O4S/c35-25(31-14-18-12-17(16-39-18)27-32-23-9-5-11-30-28(23)33-27)15-34-24-10-4-3-7-20(24)22(13-26(36)37)19-6-1-2-8-21(19)29(34)38/h1-12,16,22H,13-15H2,(H,31,35)(H,36,37)(H,30,32,33)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Knoll GmbH

Curated by ChEMBL


Assay Description
Affinity against alpha V-beta3 integrin via competitive ELISA using vitronectin as natural ligand


Bioorg Med Chem Lett 12: 441-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00773-9
BindingDB Entry DOI: 10.7270/Q2RV0N0X
More data for this
Ligand-Target Pair