BDBM50404254 CHEMBL108396

SMILES: COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1

InChI Key: InChIKey=LXZXXMLKRZNKEG-UHFFFAOYSA-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 = 50404254   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50404254 (CHEMBL108396) Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1 Show InChI InChI=1S/C27H26N2O3S/c1-17(2)25-23(15-20-9-6-8-18-7-4-5-10-22(18)20)28-27(29-26(25)31)33-16-24(30)19-11-13-21(32-3)14-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells				Bioorg Med Chem Lett 14: 3173-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.008 BindingDB Entry DOI: 10.7270/Q2862HNN
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50404254 (CHEMBL108396) Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1 Show InChI InChI=1S/C27H26N2O3S/c1-17(2)25-23(15-20-9-6-8-18-7-4-5-10-22(18)20)28-27(29-26(25)31)33-16-24(30)19-11-13-21(32-3)14-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells				Bioorg Med Chem Lett 14: 3173-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.008 BindingDB Entry DOI: 10.7270/Q2862HNN
					More data for this Ligand-Target Pair