BDBM50145828 2-(4-{3-[(S)-1-Carboxy-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy}-benzoyl)-benzoic acid::CHEMBL82941

SMILES: OC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCCCOc1ccc(cc1)C(=O)c1ccccc1C(O)=O

InChI Key: InChIKey=ANEUREAGWYRPIV-QFIPXVFZSA-N

Data: 2 KI

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 = 50145828   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50145828 (2-(4-{3-[(S)-1-Carboxy-2-(4-hydroxy-3,5-diiodo-phe...) Show SMILES OC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCCCOc1ccc(cc1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C27H23I2NO9/c28-20-12-15(13-21(29)24(20)32)14-22(26(35)36)30-27(37)39-11-3-10-38-17-8-6-16(7-9-17)23(31)18-4-1-2-5-19(18)25(33)34/h1-2,4-9,12-13,22,32H,3,10-11,14H2,(H,30,37)(H,33,34)(H,35,36)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50145828 (2-(4-{3-[(S)-1-Carboxy-2-(4-hydroxy-3,5-diiodo-phe...) Show SMILES OC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCCCOc1ccc(cc1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C27H23I2NO9/c28-20-12-15(13-21(29)24(20)32)14-22(26(35)36)30-27(37)39-11-3-10-38-17-8-6-16(7-9-17)23(31)18-4-1-2-5-19(18)25(33)34/h1-2,4-9,12-13,22,32H,3,10-11,14H2,(H,30,37)(H,33,34)(H,35,36)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition constant for HCV NS3 protease substrate binding site				J Med Chem 47: 2486-98 (2004) Article DOI: 10.1021/jm0305117 BindingDB Entry DOI: 10.7270/Q2FF3RSP
					More data for this Ligand-Target Pair