BDBM50346323 (S)-2-(phenylsulfonamido)-3-(4-(4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl)benzamido)propanoic acid::CHEMBL598737

SMILES: [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-[#7]S(=O)(=O)c1ccccc1

InChI Key: InChIKey=WWDVDVKEFFDGFA-QFIPXVFZSA-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 = 50346323   

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))	BDBM50346323 ((S)-2-(phenylsulfonamido)-3-(4-(4-(1,4,5,6-tetrahy...) Show SMILES [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-[#7]S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H32N6O5S/c32-23(28-17-22(24(33)34)30-37(35,36)21-5-2-1-3-6-21)18-7-9-20(10-8-18)31-15-11-19(12-16-31)29-25-26-13-4-14-27-25/h1-3,5-10,19,22,30H,4,11-17H2,(H,28,32)(H,33,34)(H2,26,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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))	BDBM50346323 ((S)-2-(phenylsulfonamido)-3-(4-(4-(1,4,5,6-tetrahy...) Show SMILES [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-[#7]S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H32N6O5S/c32-23(28-17-22(24(33)34)30-37(35,36)21-5-2-1-3-6-21)18-7-9-20(10-8-18)31-15-11-19(12-16-31)29-25-26-13-4-14-27-25/h1-3,5-10,19,22,30H,4,11-17H2,(H,28,32)(H,33,34)(H2,26,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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))	BDBM50346323 ((S)-2-(phenylsulfonamido)-3-(4-(4-(1,4,5,6-tetrahy...) Show SMILES [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-[#7]S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H32N6O5S/c32-23(28-17-22(24(33)34)30-37(35,36)21-5-2-1-3-6-21)18-7-9-20(10-8-18)31-15-11-19(12-16-31)29-25-26-13-4-14-27-25/h1-3,5-10,19,22,30H,4,11-17H2,(H,28,32)(H,33,34)(H2,26,27,29)/t22-/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	3	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