BDBM50072486 CHEMBL321015::{(S)-7-[(1H-Benzoimidazol-2-ylmethyl)-cyclohexyl-carbamoyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid

SMILES: CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(Cc1nc2ccccc2[nH]1)C1CCCCC1

InChI Key: InChIKey=CYAUKFWRXLZLMR-QHCPKHFHSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50072486   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50072486 (CHEMBL321015 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(Cc1nc2ccccc2[nH]1)C1CCCCC1 Show InChI InChI=1S/C27H31N5O4/c1-31-15-18-13-17(11-12-20(18)28-23(27(31)36)14-25(33)34)26(35)32(19-7-3-2-4-8-19)16-24-29-21-9-5-6-10-22(21)30-24/h5-6,9-13,19,23,28H,2-4,7-8,14-16H2,1H3,(H,29,30)(H,33,34)/t23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Affinity for alphaIIb-beta3 receptor				Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF
					More data for this Ligand-Target Pair