BDBM50161784 3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-propionic acid::CHEMBL178859

SMILES: OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12

InChI Key: InChIKey=AJDOOWNOWOSWPT-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 = 50161784   

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))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(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 Similars	Article PubMed	n/a	n/a	2.5	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
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(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 Similars		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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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