BDBM50201116 3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naphthyridin-2-yl)ethyl]indol-1-yl]propionic acid::3-(pyridin-3-yl)-3-(4-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)-1H-indol-1-yl)propanoic acid::CHEMBL228605

SMILES: OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12

InChI Key: InChIKey=WWUJBWRZVJNABY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50201116   

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))	BDBM50201116 (3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3| Show InChI InChI=1S/C26H26N4O2/c31-25(32)16-24(20-6-2-13-27-17-20)30-15-12-22-18(4-1-7-23(22)30)8-10-21-11-9-19-5-3-14-28-26(19)29-21/h1-2,4,6-7,9,11-13,15,17,24H,3,5,8,10,14,16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50201116 (3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3| Show InChI InChI=1S/C26H26N4O2/c31-25(32)16-24(20-6-2-13-27-17-20)30-15-12-22-18(4-1-7-23(22)30)8-10-21-11-9-19-5-3-14-28-26(19)29-21/h1-2,4,6-7,9,11-13,15,17,24H,3,5,8,10,14,16H2,(H,28,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50201116 (3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3| Show InChI InChI=1S/C26H26N4O2/c31-25(32)16-24(20-6-2-13-27-17-20)30-15-12-22-18(4-1-7-23(22)30)8-10-21-11-9-19-5-3-14-28-26(19)29-21/h1-2,4,6-7,9,11-13,15,17,24H,3,5,8,10,14,16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alphaVbeta3				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
					More data for this Ligand-Target Pair