BDBM50101751 (S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-2-(2,2,2-trifluoro-ethanesulfonylamino)-propionic acid::CHEMBL61155

SMILES: OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)CC(F)(F)F

InChI Key: InChIKey=QKXOSKAHSHXRAG-NSHDSACASA-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 = 50101751   

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-V/beta-3 (Homo sapiens (Human))	BDBM50101751 ((S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcar...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)CC(F)(F)F |t:17| Show InChI InChI=1S/C17H22F3N5O6S2/c18-17(19,20)9-33(30,31)25-11(15(28)29)8-23-14(27)12-4-2-10(32-12)3-5-13(26)24-16-21-6-1-7-22-16/h2,4,11,25H,1,3,5-9H2,(H,23,27)(H,28,29)(H2,21,22,24,26)/t11-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	313	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50101751 ((S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcar...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)CC(F)(F)F |t:17| Show InChI InChI=1S/C17H22F3N5O6S2/c18-17(19,20)9-33(30,31)25-11(15(28)29)8-23-14(27)12-4-2-10(32-12)3-5-13(26)24-16-21-6-1-7-22-16/h2,4,11,25H,1,3,5-9H2,(H,23,27)(H,28,29)(H2,21,22,24,26)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50101751 ((S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcar...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)CC(F)(F)F |t:17| Show InChI InChI=1S/C17H22F3N5O6S2/c18-17(19,20)9-33(30,31)25-11(15(28)29)8-23-14(27)12-4-2-10(32-12)3-5-13(26)24-16-21-6-1-7-22-16/h2,4,11,25H,1,3,5-9H2,(H,23,27)(H,28,29)(H2,21,22,24,26)/t11-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	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