BDBM50324811 (S)-2-(5,7-dichloro-2-(3-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(thiophene-2-carboxamido)propanoic acid::CHEMBL1222021

SMILES: OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cccc(Cl)c1

InChI Key: InChIKey=PBWGNAKIFNSLLR-SFHVURJKSA-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 = 50324811   

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))	BDBM50324811 ((S)-2-(5,7-dichloro-2-(3-chlorobenzoyl)-1,2,3,4-te...) Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-4-1-3-13(9-15)24(34)31-7-6-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-5-2-8-37-19/h1-5,8-10,18H,6-7,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/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	240	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))	BDBM50324811 ((S)-2-(5,7-dichloro-2-(3-chlorobenzoyl)-1,2,3,4-te...) Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-4-1-3-13(9-15)24(34)31-7-6-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-5-2-8-37-19/h1-5,8-10,18H,6-7,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/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	66	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