BDBM50484626 CHEMBL1939508

SMILES: Clc1cc(Oc2cc3n(Cc4n[nH]c5ncccc45)nnc3cc2Cl)cc(c1)C#N

InChI Key: InChIKey=MMSBQOWVEGZLNG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50484626   

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 (Human immunodeficiency virus 1)	BDBM50484626 (CHEMBL1939508) Show SMILES Clc1cc(Oc2cc3n(Cc4n[nH]c5ncccc45)nnc3cc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H11Cl2N7O/c21-12-4-11(9-23)5-13(6-12)30-19-8-18-16(7-15(19)22)26-28-29(18)10-17-14-2-1-3-24-20(14)27-25-17/h1-8H,10H2,(H,24,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair