BDBM50508789 CHEMBL3775346

SMILES: CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(SC)c1cc(C)cc(C)c1

InChI Key: InChIKey=YGGUXIRULMUODD-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 = 50508789   

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)	BDBM50508789 (CHEMBL3775346) Show SMILES CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(SC)c1cc(C)cc(C)c1 Show InChI InChI=1S/C21H22ClNO2S/c1-5-25-21(24)19-18(16-11-15(22)6-7-17(16)23-19)20(26-4)14-9-12(2)8-13(3)10-14/h6-11,20,23H,5H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair