BDBM1517 2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::CHEMBL37628::Dipyridodiazepinone deriv. 2

SMILES: CCN1c2nccc(C)c2NC(=O)c2cccnc12

InChI Key: InChIKey=HDVZWQWXAQRFKJ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 1517   

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)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+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
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...				Bioorg Med Chem Lett 2: 1745-1750 (1992) Article DOI: 10.1016/S0960-894X(00)80468-0 BindingDB Entry DOI: 10.7270/Q2X63MW9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...				Bioorg Med Chem Lett 2: 1745-1750 (1992) Article DOI: 10.1016/S0960-894X(00)80468-0 BindingDB Entry DOI: 10.7270/Q2X63MW9
					More data for this Ligand-Target Pair