BDBM50486096 CHEMBL2203876

SMILES: [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCCC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=DMHDFSSOXNVSGH-GSEJLOGTSA-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 = 50486096   

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
Genome polyprotein (Hepacivirus C)	BDBM50486096 (CHEMBL2203876) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCCC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:24| Show InChI InChI=1S/C44H57N5O10S/c1-4-29-24-44(29,42(52)48-60(54,55)31-18-19-31)47-40(50)34-21-30-25-49(34)41(51)39(27-13-7-6-8-14-27)46-43(53)59-35-17-10-9-12-26(35)15-11-16-28-20-32-33(22-36(28)56-3)45-38(57-5-2)23-37(32)58-30/h4,11,16,20,22-23,26-27,29-31,34-35,39H,1,5-10,12-15,17-19,21,24-25H2,2-3H3,(H,46,53)(H,47,50)(H,48,52)/b16-11+/t26-,29+,30+,34-,35+,39-,44+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486096 (CHEMBL2203876) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCCC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:24| Show InChI InChI=1S/C44H57N5O10S/c1-4-29-24-44(29,42(52)48-60(54,55)31-18-19-31)47-40(50)34-21-30-25-49(34)41(51)39(27-13-7-6-8-14-27)46-43(53)59-35-17-10-9-12-26(35)15-11-16-28-20-32-33(22-36(28)56-3)45-38(57-5-2)23-37(32)58-30/h4,11,16,20,22-23,26-27,29-31,34-35,39H,1,5-10,12-15,17-19,21,24-25H2,2-3H3,(H,46,53)(H,47,50)(H,48,52)/b16-11+/t26-,29+,30+,34-,35+,39-,44+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	567	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair