BDBM1633 2-ethyl-10-methyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one::Pyridobenzodiazepinone deriv. 11

SMILES: CCN1c2ccccc2N(C)C(=O)c2cccnc12

InChI Key: InChIKey=QIBWCUCLHZVYNL-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 3 PDB IDs contain this monomer as substructures. 3 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 2 hits for monomerid = 1633   

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)	BDBM1633 (2-ethyl-10-methyl-2,4,10-triazatricyclo[9.4.0.0^{3...) Show SMILES CCN1c2ccccc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H15N3O/c1-3-18-13-9-5-4-8-12(13)17(2)15(19)11-7-6-10-16-14(11)18/h4-10H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase derived from HIV patient plasma by LC/MS/MS analysis				J Med Chem 62: 4851-4883 (2019) Article DOI: 10.1021/acs.jmedchem.8b00843
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1633 (2-ethyl-10-methyl-2,4,10-triazatricyclo[9.4.0.0^{3...) Show SMILES CCN1c2ccccc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H15N3O/c1-3-18-13-9-5-4-8-12(13)17(2)15(19)11-7-6-10-16-14(11)18/h4-10H,3H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	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