BDBM50333916 (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(1-isopropyl-1H-1,2,3-triazol-4-yl)propanoic acid::CHEMBL1644130

SMILES: CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)nn1

InChI Key: InChIKey=QIHAPYRUKBWYGW-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 = 50333916   

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 (Homo sapiens (Human))	BDBM50333916 ((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...) Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)nn1 |r| Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-18(31-32-34)11-21(27(37)38)30-25(35)23-20(28)9-17-12-33(7-5-19(17)24(23)29)26(36)16-4-3-15-6-8-39-22(15)10-16/h3-4,6,8-10,13-14,21H,5,7,11-12H2,1-2H3,(H,30,35)(H,37,38)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>950	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 in presence of 10% human serum				Bioorg Med Chem Lett 21: 307-10 (2010) Article DOI: 10.1016/j.bmcl.2010.11.014 BindingDB Entry DOI: 10.7270/Q2WW7HXM
					More data for this Ligand-Target Pair
Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50333916 ((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...) Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)nn1 |r| Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-18(31-32-34)11-21(27(37)38)30-25(35)23-20(28)9-17-12-33(7-5-19(17)24(23)29)26(36)16-4-3-15-6-8-39-22(15)10-16/h3-4,6,8-10,13-14,21H,5,7,11-12H2,1-2H3,(H,30,35)(H,37,38)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	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				Bioorg Med Chem Lett 21: 307-10 (2010) Article DOI: 10.1016/j.bmcl.2010.11.014 BindingDB Entry DOI: 10.7270/Q2WW7HXM
					More data for this Ligand-Target Pair