BDBM50082058 5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benzo[e]azulen-4-one::CHEMBL141371

SMILES: CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1

InChI Key: InChIKey=XOTGYWLVTZICLR-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 = 50082058   

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)	BDBM50082058 (5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+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 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)	BDBM50082058 (5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+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 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)	BDBM50082058 (5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+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)	BDBM50082058 (5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+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 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)	BDBM50082058 (5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80E+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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50082058 (5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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