BindingDB PrimarySearch

BDBM1518 2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::CHEMBL37343::Dipyridodiazepinone deriv. 3

SMILES: CCN1c2ncccc2N(C)C(=O)c2cccnc12

InChI Key: InChIKey=SVFKQHLOBRUZGV-UHFFFAOYSA-N

Data: 8 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 1518
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.8	25
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	125	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
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Reverse transcriptase(RT) was determined				Bioorg Med Chem Lett 5: 163-166 (1995) Article DOI: 10.1016/0960-894X(94)00478-X BindingDB Entry DOI: 10.7270/Q22R3RM4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	125	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
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1518 (2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	125	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
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair