null

SMILES: CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12

InChI Key: InChIKey=KZFWFFCAGSLUEX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50171972   

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)	BDBM50171972 (4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12 Show InChI InChI=1S/C23H22N4O4/c1-3-27-20-18(22(28)26(2)19-5-4-11-24-21(19)27)13-15(14-25-20)10-12-31-17-8-6-16(7-9-17)23(29)30/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48E+3	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)	BDBM50171972 (4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12 Show InChI InChI=1S/C23H22N4O4/c1-3-27-20-18(22(28)26(2)19-5-4-11-24-21(19)27)13-15(14-25-20)10-12-31-17-8-6-16(7-9-17)23(29)30/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,29,30)	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	3.30	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)	BDBM50171972 (4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12 Show InChI InChI=1S/C23H22N4O4/c1-3-27-20-18(22(28)26(2)19-5-4-11-24-21(19)27)13-15(14-25-20)10-12-31-17-8-6-16(7-9-17)23(29)30/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,29,30)	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	162	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)	BDBM50171972 (4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...) Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12 Show InChI InChI=1S/C23H22N4O4/c1-3-27-20-18(22(28)26(2)19-5-4-11-24-21(19)27)13-15(14-25-20)10-12-31-17-8-6-16(7-9-17)23(29)30/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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