BDBM50082055 5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azulen-4-one::CHEMBL336441

SMILES: CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1

InChI Key: InChIKey=HIVYLOYDYNAIIV-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 = 50082055   

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)	BDBM50082055 (5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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)	BDBM50082055 (5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	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)	BDBM50082055 (5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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)	BDBM50082055 (5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	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)	BDBM50082055 (5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+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)	BDBM50082055 (5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1 Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3	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 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