BDBM50082057 (+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azulen-4-one::5-Ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azulen-4-one::CHEMBL139532

SMILES: CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1

InChI Key: InChIKey=VCKVLWJRJQKJIE-UHFFFAOYSA-N

Data: 6 KI  1 IC50

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 7 hits for monomerid = 50082057   

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)	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)				J Med Chem 42: 4462-70 (1999) BindingDB Entry DOI: 10.7270/Q20R9NMJ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I				J Med Chem 42: 4462-70 (1999) BindingDB Entry DOI: 10.7270/Q20R9NMJ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A				J Med Chem 42: 4462-70 (1999) BindingDB Entry DOI: 10.7270/Q20R9NMJ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N				J Med Chem 42: 4462-70 (1999) BindingDB Entry DOI: 10.7270/Q20R9NMJ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L				J Med Chem 42: 4462-70 (1999) BindingDB Entry DOI: 10.7270/Q20R9NMJ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I				J Med Chem 42: 4462-70 (1999) BindingDB Entry DOI: 10.7270/Q20R9NMJ
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50082057 ((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair