BDBM50155250 3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propionylamino]-3-phenyl-propionic acid; hydrochloride::CHEMBL536269

SMILES: OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1

InChI Key: InChIKey=DBOQCKFLGLRZBD-UHFFFAOYSA-N

Data: 1 KI  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 6 hits for monomerid = 50155250   

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))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro binding affinity for FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in platelet rich plasma				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-3/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation				Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-3/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma				Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in suspension				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair