BDBM50324816 (S)-3-benzamido-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)propanoic acid::CHEMBL1222132

SMILES: OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=WVTSKZKNRPBXCK-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 50324816   

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-L/beta-2 (LFA-1) (Homo sapiens (Human))	BDBM50324816 ((S)-3-benzamido-2-(5,7-dichloro-2-(4-chlorobenzoyl...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H22Cl3N3O5/c28-18-8-6-16(7-9-18)26(36)33-11-10-19-17(14-33)12-20(29)22(23(19)30)25(35)32-21(27(37)38)13-31-24(34)15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2,(H,31,34)(H,32,35)(H,37,38)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum				Bioorg Med Chem Lett 20: 5269-73 (2010) Article DOI: 10.1016/j.bmcl.2010.06.145 BindingDB Entry DOI: 10.7270/Q2N58MKB
					More data for this Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50324816 ((S)-3-benzamido-2-(5,7-dichloro-2-(4-chlorobenzoyl...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H22Cl3N3O5/c28-18-8-6-16(7-9-18)26(36)33-11-10-19-17(14-33)12-20(29)22(23(19)30)25(35)32-21(27(37)38)13-31-24(34)15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2,(H,31,34)(H,32,35)(H,37,38)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay				Bioorg Med Chem Lett 20: 5269-73 (2010) Article DOI: 10.1016/j.bmcl.2010.06.145 BindingDB Entry DOI: 10.7270/Q2N58MKB
					More data for this Ligand-Target Pair