BDBM1648 12-chloro-2-ethyl-10-methyl-14-(trifluoromethyl)-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one::Pyridobenzodiazepinone deriv. 57

SMILES: CCN1c2cc(cc(Cl)c2N(C)C(=O)c2cccnc12)C(F)(F)F

InChI Key: InChIKey=AFCUXPVAIWIPIK-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 = 1648   

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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1648 (12-chloro-2-ethyl-10-methyl-14-(trifluoromethyl)-2...) Show SMILES CCN1c2cc(cc(Cl)c2N(C)C(=O)c2cccnc12)C(F)(F)F Show InChI InChI=1S/C16H13ClF3N3O/c1-3-23-12-8-9(16(18,19)20)7-11(17)13(12)22(2)15(24)10-5-4-6-21-14(10)23/h4-8H,3H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X
					More data for this Ligand-Target Pair