BDBM1657 2-(propan-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one::Dipyridodiazepinone deriv. 75

SMILES: CC(C)N1c2ncccc2NC(=O)c2cccnc12

InChI Key: InChIKey=PFZNCVYPORLFOB-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 13 PDB IDs contain this monomer as substructures. 13 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 1657   

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)	BDBM1657 (2-(propan-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^...) Show SMILES CC(C)N1c2ncccc2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-9(2)18-12-10(5-3-7-15-12)14(19)17-11-6-4-8-16-13(11)18/h3-9H,1-2H3,(H,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
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