BDBM50533385 CHEMBL4474029

SMILES: COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1

InChI Key: InChIKey=AXZXBQINGWHDGW-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50533385   

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)	BDBM50533385 (CHEMBL4474029) Show SMILES COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1 Show InChI InChI=1S/C18H17N3O5/c1-25-14-7-12(8-15(9-14)26-2)11-3-5-13(6-4-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in nonspecific internal cleavage using HTS...				J Med Chem 59: 2648-59 (2016) Article DOI: 10.1021/acs.jmedchem.5b01879
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50533385 (CHEMBL4474029) Show SMILES COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1 Show InChI InChI=1S/C18H17N3O5/c1-25-14-7-12(8-15(9-14)26-2)11-3-5-13(6-4-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of polymerase activity of HIV1 reverse transcriptase using poly(rA)-oligo(dT)16 and [3H]-TTP incubated for 20 mins by liquid scintillation...				J Med Chem 59: 2648-59 (2016) Article DOI: 10.1021/acs.jmedchem.5b01879
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50533385 (CHEMBL4474029) Show SMILES COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1 Show InChI InChI=1S/C18H17N3O5/c1-25-14-7-12(8-15(9-14)26-2)11-3-5-13(6-4-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in RNA 5'-end directed cleavage using HTS3...				J Med Chem 59: 2648-59 (2016) Article DOI: 10.1021/acs.jmedchem.5b01879
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50533385 (CHEMBL4474029) Show SMILES COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1 Show InChI InChI=1S/C18H17N3O5/c1-25-14-7-12(8-15(9-14)26-2)11-3-5-13(6-4-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV integrase pre-incubated for 10 mins before addition of oligo-5'-biotin ATGTGGAAAATCTCTAGCA annealed with ACTGCTAGAGATTTTCCACAT 3'-C...				J Med Chem 59: 2648-59 (2016) Article DOI: 10.1021/acs.jmedchem.5b01879
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50533385 (CHEMBL4474029) Show SMILES COc1cc(OC)cc(c1)-c1ccc(Nc2cc(=O)n(O)c(=O)[nH]2)cc1 Show InChI InChI=1S/C18H17N3O5/c1-25-14-7-12(8-15(9-14)26-2)11-3-5-13(6-4-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in DNA 3'-end cleavage using HTS2 substrat...				J Med Chem 59: 2648-59 (2016) Article DOI: 10.1021/acs.jmedchem.5b01879
					More data for this Ligand-Target Pair