BDBM50082056 5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e]azulen-4-one::CHEMBL138969

SMILES: CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1

InChI Key: InChIKey=TXUABTMIUKWMLO-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50082056   

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)	BDBM50082056 (5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1 Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	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)	BDBM50082056 (5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1 Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	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)	BDBM50082056 (5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1 Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	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)	BDBM50082056 (5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1 Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	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)	BDBM50082056 (5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1 Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	430	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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50082056 (5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1 Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	475	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