BDBM50100342 7-Oxo-7-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-3-yl)-heptanoic acid::CHEMBL277885

SMILES: OC(=O)CCCCCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1

InChI Key: InChIKey=ZMQYECIGILMMEL-UHFFFAOYSA-N

Data: 2 IC50

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 = 50100342   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50100342 (7-Oxo-7-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-...) Show SMILES OC(=O)CCCCCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1 Show InChI InChI=1S/C21H31N3O3/c25-19(4-2-1-3-5-20(26)27)24-16-10-21(11-17-24)8-14-23(15-9-21)18-6-12-22-13-7-18/h6-7,12-13H,1-5,8-11,14-17H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA				Bioorg Med Chem Lett 11: 1289-92 (2001) BindingDB Entry DOI: 10.7270/Q22N51KQ
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50100342 (7-Oxo-7-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-...) Show SMILES OC(=O)CCCCCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1 Show InChI InChI=1S/C21H31N3O3/c25-19(4-2-1-3-5-20(26)27)24-16-10-21(11-17-24)8-14-23(15-9-21)18-6-12-22-13-7-18/h6-7,12-13H,1-5,8-11,14-17H2,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against alphaV-beta3 integrin				Bioorg Med Chem Lett 11: 1289-92 (2001) BindingDB Entry DOI: 10.7270/Q22N51KQ
					More data for this Ligand-Target Pair