BDBM50101754 (S)-2-Methanesulfonylamino-3-({5-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid::CHEMBL294482

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

InChI Key: InChIKey=XNAYEANMJQHLLF-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 = 50101754   

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))	BDBM50101754 ((S)-2-Methanesulfonylamino-3-({5-[2-(1,4,5,6-tetra...) Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:19| Show InChI InChI=1S/C16H23N5O6S2/c1-29(26,27)21-11(15(24)25)9-19-14(23)12-5-3-10(28-12)4-6-13(22)20-16-17-7-2-8-18-16/h3,5,11,21H,2,4,6-9H2,1H3,(H,19,23)(H,24,25)(H2,17,18,20,22)/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	69	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))	BDBM50101754 ((S)-2-Methanesulfonylamino-3-({5-[2-(1,4,5,6-tetra...) Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:19| Show InChI InChI=1S/C16H23N5O6S2/c1-29(26,27)21-11(15(24)25)9-19-14(23)12-5-3-10(28-12)4-6-13(22)20-16-17-7-2-8-18-16/h3,5,11,21H,2,4,6-9H2,1H3,(H,19,23)(H,24,25)(H2,17,18,20,22)/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	1.35E+3	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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50101754 ((S)-2-Methanesulfonylamino-3-({5-[2-(1,4,5,6-tetra...) Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:19| Show InChI InChI=1S/C16H23N5O6S2/c1-29(26,27)21-11(15(24)25)9-19-14(23)12-5-3-10(28-12)4-6-13(22)20-16-17-7-2-8-18-16/h3,5,11,21H,2,4,6-9H2,1H3,(H,19,23)(H,24,25)(H2,17,18,20,22)/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 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