BDBM50036504 (R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::(S-(+))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::CHEMBL135127

SMILES: CC1Cn2c3c(CN1)cccc3[nH]c2=O

InChI Key: InChIKey=GTNCOIIPIKEYMW-UHFFFAOYSA-N

Data: 14 EC50

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 14 hits for monomerid = 50036504   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with L74V (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with V106A (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.74E+4	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT/L100I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cyt...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with NL4-3(WT) NNRTI (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with L100I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity)of the compound with 4xAZT/Y181C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cyto...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with A98G (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with K101E (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with V108I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with V179D (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.74E+4	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with Y188C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with Y181C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with K103N (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair