BDBM50346320 (S)-3-(3-hydroxy-4-(4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl)benzamido)-2-(4-hydroxyphenylsulfonamido)propanoic acid::CHEMBL1782659

SMILES: [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#6]-[#7]-2)c(-[#8])c1)-[#7]S(=O)(=O)c1ccc(-[#8])cc1

InChI Key: InChIKey=PCSAMHIZFOPKDJ-FQEVSTJZSA-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 = 50346320   

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))	BDBM50346320 ((S)-3-(3-hydroxy-4-(4-(1,4,5,6-tetrahydropyrimidin...) Show SMILES [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#6]-[#7]-2)c(-[#8])c1)-[#7]S(=O)(=O)c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C25H32N6O7S/c32-18-3-5-19(6-4-18)39(37,38)30-20(24(35)36)15-28-23(34)16-2-7-21(22(33)14-16)31-12-8-17(9-13-31)29-25-26-10-1-11-27-25/h2-7,14,17,20,30,32-33H,1,8-13,15H2,(H,28,34)(H,35,36)(H2,26,27,29)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at alphavbeta3 integrin receptor human VSMC assessed as inhibition of vitronectin-induced cell adhesion				J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50346320 ((S)-3-(3-hydroxy-4-(4-(1,4,5,6-tetrahydropyrimidin...) Show SMILES [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#6]-[#7]-2)c(-[#8])c1)-[#7]S(=O)(=O)c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C25H32N6O7S/c32-18-3-5-19(6-4-18)39(37,38)30-20(24(35)36)15-28-23(34)16-2-7-21(22(33)14-16)31-12-8-17(9-13-31)29-25-26-10-1-11-27-25/h2-7,14,17,20,30,32-33H,1,8-13,15H2,(H,28,34)(H,35,36)(H2,26,27,29)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at alphavbeta3 integrin receptor				J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50346320 ((S)-3-(3-hydroxy-4-(4-(1,4,5,6-tetrahydropyrimidin...) Show SMILES [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#6]-[#7]-2)c(-[#8])c1)-[#7]S(=O)(=O)c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C25H32N6O7S/c32-18-3-5-19(6-4-18)39(37,38)30-20(24(35)36)15-28-23(34)16-2-7-21(22(33)14-16)31-12-8-17(9-13-31)29-25-26-10-1-11-27-25/h2-7,14,17,20,30,32-33H,1,8-13,15H2,(H,28,34)(H,35,36)(H2,26,27,29)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at alpha2bbeta3 integrin receptor				J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30
					More data for this Ligand-Target Pair