BDBM50101766 (S)-2-Ethenesulfonylamino-3-({5-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid::CHEMBL299481

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

InChI Key: InChIKey=XKSSBLZLZBCROG-LBPRGKRZSA-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 = 50101766   

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/ITGB3 (Homo sapiens (Human))	BDBM50101766 ((S)-2-Ethenesulfonylamino-3-({5-[2-(1,4,5,6-tetrah...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)C=C |t:17| Show InChI InChI=1S/C17H23N5O6S2/c1-2-30(27,28)22-12(16(25)26)10-20-15(24)13-6-4-11(29-13)5-7-14(23)21-17-18-8-3-9-19-17/h2,4,6,12,22H,1,3,5,7-10H2,(H,20,24)(H,25,26)(H2,18,19,21,23)/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50101766 ((S)-2-Ethenesulfonylamino-3-({5-[2-(1,4,5,6-tetrah...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)C=C |t:17| Show InChI InChI=1S/C17H23N5O6S2/c1-2-30(27,28)22-12(16(25)26)10-20-15(24)13-6-4-11(29-13)5-7-14(23)21-17-18-8-3-9-19-17/h2,4,6,12,22H,1,3,5,7-10H2,(H,20,24)(H,25,26)(H2,18,19,21,23)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50101766 ((S)-2-Ethenesulfonylamino-3-({5-[2-(1,4,5,6-tetrah...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)C=C |t:17| Show InChI InChI=1S/C17H23N5O6S2/c1-2-30(27,28)22-12(16(25)26)10-20-15(24)13-6-4-11(29-13)5-7-14(23)21-17-18-8-3-9-19-17/h2,4,6,12,22H,1,3,5,7-10H2,(H,20,24)(H,25,26)(H2,18,19,21,23)/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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 human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair