BDBM50101761 (S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL302395

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O

InChI Key: InChIKey=VCYXSHVQNGNXQO-SFHVURJKSA-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 = 50101761   

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))	BDBM50101761 ((S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcar...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:28| Show InChI InChI=1S/C24H31N5O6S2/c1-14-11-15(2)21(16(3)12-14)37(34,35)29-18(23(32)33)13-27-22(31)19-7-5-17(36-19)6-8-20(30)28-24-25-9-4-10-26-24/h5,7,11-12,18,29H,4,6,8-10,13H2,1-3H3,(H,27,31)(H,32,33)(H2,25,26,28,30)/t18-/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	11	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))	BDBM50101761 ((S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcar...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:28| Show InChI InChI=1S/C24H31N5O6S2/c1-14-11-15(2)21(16(3)12-14)37(34,35)29-18(23(32)33)13-27-22(31)19-7-5-17(36-19)6-8-20(30)28-24-25-9-4-10-26-24/h5,7,11-12,18,29H,4,6,8-10,13H2,1-3H3,(H,27,31)(H,32,33)(H2,25,26,28,30)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	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))	BDBM50101761 ((S)-3-({5-[2-(1,4,5,6-Tetrahydro-pyrimidin-2-ylcar...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:28| Show InChI InChI=1S/C24H31N5O6S2/c1-14-11-15(2)21(16(3)12-14)37(34,35)29-18(23(32)33)13-27-22(31)19-7-5-17(36-19)6-8-20(30)28-24-25-9-4-10-26-24/h5,7,11-12,18,29H,4,6,8-10,13H2,1-3H3,(H,27,31)(H,32,33)(H2,25,26,28,30)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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