BDBM50537584 CHEMBL4636786

SMILES: Nc1cc(Cn2c(C(O)=O)c(-c3ccc[nH]c3=O)c3ccc(Cl)cc23)ccn1

InChI Key: InChIKey=JORQHGBKRCVXOJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50537584   

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 NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50537584 (CHEMBL4636786) Show SMILES Nc1cc(Cn2c(C(O)=O)c(-c3ccc[nH]c3=O)c3ccc(Cl)cc23)ccn1 |(7.03,-10.36,;7.79,-11.7,;9.33,-11.72,;10.07,-13.06,;11.62,-13.08,;12.4,-11.75,;13.93,-11.91,;14.71,-13.24,;13.94,-14.58,;16.25,-13.24,;14.55,-10.5,;16.05,-10.18,;17.09,-11.33,;18.59,-11,;19.07,-9.54,;18.03,-8.39,;16.52,-8.71,;15.49,-7.57,;13.41,-9.48,;13.4,-7.93,;12.06,-7.16,;10.73,-7.93,;9.4,-7.16,;10.73,-9.48,;12.08,-10.25,;9.3,-14.39,;7.76,-14.38,;7,-13.03,)| Show InChI InChI=1S/C20H15ClN4O3/c21-12-3-4-13-15(9-12)25(10-11-5-7-23-16(22)8-11)18(20(27)28)17(13)14-2-1-6-24-19(14)26/h1-9H,10H2,(H2,22,23)(H,24,26)(H,27,28)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair