BDBM99893 US8501767, 96

SMILES: Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N

InChI Key: InChIKey=HOKOJWCQXBUVRG-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 = 99893   

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)	BDBM99893 (US8501767, 96) Show SMILES Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N Show InChI InChI=1S/C20H19ClN4/c21-17-9-5-4-8-16(17)19-20(23-15-6-2-1-3-7-15)25-13-14(12-22)10-11-18(25)24-19/h4-5,8-11,13,15,23H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM99893 (US8501767, 96) Show SMILES Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N Show InChI InChI=1S/C20H19ClN4/c21-17-9-5-4-8-16(17)19-20(23-15-6-2-1-3-7-15)25-13-14(12-22)10-11-18(25)24-19/h4-5,8-11,13,15,23H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair