BDBM1663 2-ethyl-6,9-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one::CHEMBL39950::Dipyridodiazepinone deriv. 90

SMILES: CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12

InChI Key: InChIKey=GWIIZHOTPUTOLU-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 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 3 hits for monomerid = 1663   

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)	BDBM1663 (2-ethyl-6,9-dimethyl-2,4,9,15-tetraazatricyclo[9.4...) Show SMILES CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18(3)12-8-10(2)9-17-14(12)19/h5-9H,4H2,1-3H3	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1663 (2-ethyl-6,9-dimethyl-2,4,9,15-tetraazatricyclo[9.4...) Show SMILES CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18(3)12-8-10(2)9-17-14(12)19/h5-9H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1663 (2-ethyl-6,9-dimethyl-2,4,9,15-tetraazatricyclo[9.4...) Show SMILES CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18(3)12-8-10(2)9-17-14(12)19/h5-9H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade				J Med Chem 44: 145-54 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FRX
					More data for this Ligand-Target Pair