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BDBM50072504 CHEMBL321648::[(S)-7-[(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)-methyl-carbamoyl]-4-(2-methoxy-ethyl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid

SMILES: COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ncccc2[nH]1

InChI Key: InChIKey=STLNBQRXIPETRC-SFHVURJKSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50072504   
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-Homo sapiens (Human))
BDBM50072504
PNG
(CHEMBL321648 | [(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)
Show SMILES COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ncccc2[nH]1
Show InChI InChI=1S/C23H26N6O5/c1-28(13-19-26-17-4-3-7-24-21(17)27-19)22(32)14-5-6-16-15(10-14)12-29(8-9-34-2)23(33)18(25-16)11-20(30)31/h3-7,10,18,25H,8-9,11-13H2,1-2H3,(H,30,31)(H,24,26,27)/t18-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets


Bioorg Med Chem Lett 8: 3171-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00556-3
BindingDB Entry DOI: 10.7270/Q2B85994
More data for this
Ligand-Target Pair