BDBM50346317 (S)-3-(3-chloro-4-(4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl)benzamido)-2-(phenylsulfonamido)propanoic acid::CHEMBL1782661

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(Cl)c1)-[#7]S(=O)(=O)c1ccccc1

InChI Key: InChIKey=WWPKVHRHQNABNG-NRFANRHFSA-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 = 50346317   

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))	BDBM50346317 ((S)-3-(3-chloro-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(Cl)c1)-[#7]S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31ClN6O5S/c26-20-15-17(7-8-22(20)32-13-9-18(10-14-32)30-25-27-11-4-12-28-25)23(33)29-16-21(24(34)35)31-38(36,37)19-5-2-1-3-6-19/h1-3,5-8,15,18,21,31H,4,9-14,16H2,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	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))	BDBM50346317 ((S)-3-(3-chloro-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(Cl)c1)-[#7]S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31ClN6O5S/c26-20-15-17(7-8-22(20)32-13-9-18(10-14-32)30-25-27-11-4-12-28-25)23(33)29-16-21(24(34)35)31-38(36,37)19-5-2-1-3-6-19/h1-3,5-8,15,18,21,31H,4,9-14,16H2,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	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))	BDBM50346317 ((S)-3-(3-chloro-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(Cl)c1)-[#7]S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31ClN6O5S/c26-20-15-17(7-8-22(20)32-13-9-18(10-14-32)30-25-27-11-4-12-28-25)23(33)29-16-21(24(34)35)31-38(36,37)19-5-2-1-3-6-19/h1-3,5-8,15,18,21,31H,4,9-14,16H2,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/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	0.0230	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