BDBM50161783 3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid::CHEMBL360232

SMILES: CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1

InChI Key: InChIKey=NNZBVLNVFSQLGP-UHFFFAOYSA-N

Data: 5 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 7 hits for monomerid = 50161783   

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/ITGB5 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro inhibition of human alphaV-beta5 integrin binding in ELISA				J Med Chem 48: 926-34 (2005) Article DOI: 10.1021/jm049725u BindingDB Entry DOI: 10.7270/Q2W37VTG
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro inhibition of human alpha5-beta1 integrin binding in ELISA				J Med Chem 48: 926-34 (2005) Article DOI: 10.1021/jm049725u BindingDB Entry DOI: 10.7270/Q2W37VTG
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro inhibition of human alphaV-beta3 integrin binding in ELISA				J Med Chem 48: 926-34 (2005) Article DOI: 10.1021/jm049725u BindingDB Entry DOI: 10.7270/Q2W37VTG
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro inhibition of human alphaIIb betaIIIa integrin binding in ELISA				J Med Chem 48: 926-34 (2005) Article DOI: 10.1021/jm049725u BindingDB Entry DOI: 10.7270/Q2W37VTG
					More data for this Ligand-Target Pair