BDBM50101780 3-Benzo[1,3]dioxol-5-yl-3-({5-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid::CHEMBL441794

SMILES: NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=QADSZVVHIFNFIX-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 = 50101780   

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))	BDBM50101780 (3-Benzo[1,3]dioxol-5-yl-3-({5-[2-(1,4,5,6-tetrahyd...) Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H20N4O6S/c20-19(21)23-16(24)6-3-11-2-5-15(30-11)18(27)22-12(8-17(25)26)10-1-4-13-14(7-10)29-9-28-13/h1-2,4-5,7,12H,3,6,8-9H2,(H,22,27)(H,25,26)(H4,20,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50101780 (3-Benzo[1,3]dioxol-5-yl-3-({5-[2-(1,4,5,6-tetrahyd...) Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H20N4O6S/c20-19(21)23-16(24)6-3-11-2-5-15(30-11)18(27)22-12(8-17(25)26)10-1-4-13-14(7-10)29-9-28-13/h1-2,4-5,7,12H,3,6,8-9H2,(H,22,27)(H,25,26)(H4,20,21,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50101780 (3-Benzo[1,3]dioxol-5-yl-3-({5-[2-(1,4,5,6-tetrahyd...) Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H20N4O6S/c20-19(21)23-16(24)6-3-11-2-5-15(30-11)18(27)22-12(8-17(25)26)10-1-4-13-14(7-10)29-9-28-13/h1-2,4-5,7,12H,3,6,8-9H2,(H,22,27)(H,25,26)(H4,20,21,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair