BDBM50171981 4-[2-(5-Ethyl-7,10-dimethyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-2-yl)-ethoxy]-3-methyl-benzoic acid::CHEMBL189423

SMILES: CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12

InChI Key: InChIKey=VVGYTKPWIXNEOX-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50171981   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50171981 (4-[2-(5-Ethyl-7,10-dimethyl-11-oxo-10,11-dihydro-5...) Show SMILES CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12 Show InChI InChI=1S/C25H26N4O4/c1-5-29-22-19(24(30)28(4)20-8-6-16(3)27-23(20)29)13-17(14-26-22)10-11-33-21-9-7-18(25(31)32)12-15(21)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...				J Med Chem 48: 5580-8 (2005) Article DOI: 10.1021/jm050255t BindingDB Entry DOI: 10.7270/Q29K49RC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50171981 (4-[2-(5-Ethyl-7,10-dimethyl-11-oxo-10,11-dihydro-5...) Show SMILES CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12 Show InChI InChI=1S/C25H26N4O4/c1-5-29-22-19(24(30)28(4)20-8-6-16(3)27-23(20)29)13-17(14-26-22)10-11-33-21-9-7-18(25(31)32)12-15(21)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Effective concentration towards HIV-1 wild type reverse transcriptase activity by 50% measured in cellular assay				J Med Chem 48: 5580-8 (2005) Article DOI: 10.1021/jm050255t BindingDB Entry DOI: 10.7270/Q29K49RC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50171981 (4-[2-(5-Ethyl-7,10-dimethyl-11-oxo-10,11-dihydro-5...) Show SMILES CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12 Show InChI InChI=1S/C25H26N4O4/c1-5-29-22-19(24(30)28(4)20-8-6-16(3)27-23(20)29)13-17(14-26-22)10-11-33-21-9-7-18(25(31)32)12-15(21)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Effective concentration of the compound towards HIV-1 K103N/Y181C mutant reverse transcriptase activity by 50% measured in cellular assay				J Med Chem 48: 5580-8 (2005) Article DOI: 10.1021/jm050255t BindingDB Entry DOI: 10.7270/Q29K49RC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50171981 (4-[2-(5-Ethyl-7,10-dimethyl-11-oxo-10,11-dihydro-5...) Show SMILES CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12 Show InChI InChI=1S/C25H26N4O4/c1-5-29-22-19(24(30)28(4)20-8-6-16(3)27-23(20)29)13-17(14-26-22)10-11-33-21-9-7-18(25(31)32)12-15(21)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...				J Med Chem 48: 5580-8 (2005) Article DOI: 10.1021/jm050255t BindingDB Entry DOI: 10.7270/Q29K49RC
					More data for this Ligand-Target Pair