BDBM50078698 CHEMBL296615::{(S)-4-Methyl-7-[methyl-(6-methylamino-pyridin-2-ylmethyl)-carbamoyl]-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid

SMILES: CNc1cccc(CN(C)C(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1

InChI Key: InChIKey=MBQKQBUQDMUZRS-KRWDZBQOSA-N

Data: 2 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 2 hits for monomerid = 50078698   

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))	BDBM50078698 (CHEMBL296615 | {(S)-4-Methyl-7-[methyl-(6-methylam...) Show SMILES CNc1cccc(CN(C)C(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1 Show InChI InChI=1S/C21H25N5O4/c1-22-18-6-4-5-15(23-18)12-26(3)20(29)13-7-8-16-14(9-13)11-25(2)21(30)17(24-16)10-19(27)28/h4-9,17,24H,10-12H2,1-3H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Vitronectin receptor.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078698 (CHEMBL296615 | {(S)-4-Methyl-7-[methyl-(6-methylam...) Show SMILES CNc1cccc(CN(C)C(=O)c2ccc3N[C@@H](CC(O)=O)C(=O)N(C)Cc3c2)n1 Show InChI InChI=1S/C21H25N5O4/c1-22-18-6-4-5-15(23-18)12-26(3)20(29)13-7-8-16-14(9-13)11-25(2)21(30)17(24-16)10-19(27)28/h4-9,17,24H,10-12H2,1-3H3,(H,22,23)(H,27,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.				Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B
					More data for this Ligand-Target Pair