BDBM21686 3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil::6-[(3-ethyl-4-methylphenyl)amino]-3-(4-hydroxybutyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione::CHEMBL327687::HB-EMAU::HBEMAU

SMILES: CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C

InChI Key: InChIKey=DKZBKKHAGYCGJG-UHFFFAOYSA-N

Data: 8 KI  2 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 10 hits for monomerid = 21686   

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
DNA polymerase IIIC (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)				J Med Chem 48: 7063-74 (2005) Article DOI: 10.1021/jm050517r BindingDB Entry DOI: 10.7270/Q2W66MJN
					More data for this Ligand-Target Pair
DNA polymerase IIIC (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined				J Med Chem 46: 2731-9 (2003) Article DOI: 10.1021/jm020591z BindingDB Entry DOI: 10.7270/Q2057GPR
					More data for this Ligand-Target Pair
DNA polymerase IIIC (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	-9.98	n/a	n/a	n/a	n/a	n/a	7.5	30
Microbiotix					Assay Description Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair
DNA polymerase IIIC (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase IIIE (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.17E+5	-5.45	n/a	n/a	n/a	n/a	n/a	7.5	30
Microbiotix					Assay Description Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair
DNA Polymerase alpha (Bos taurus (bovine))	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.01E+6	>-4.25	n/a	n/a	n/a	n/a	n/a	7.5	37
Microbiotix					Assay Description Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair
DNA polymerase IIIE (Escherichia coli)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.01E+6	>-4.15	n/a	n/a	n/a	n/a	n/a	7.5	30
Microbiotix					Assay Description Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair
DNA polymerase gamma subunit 1 (Homo sapiens (Human))	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.01E+6	>-4.25	n/a	n/a	n/a	n/a	n/a	7.5	37
Microbiotix					Assay Description Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair
DNA Topoisomerase IV (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	30
Microbiotix					Assay Description The 50% inhibitory concentration (IC50) is defined as the concentration of compound that inhibits the decatenation of kinetoplast DNA by 50%.				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair
DNA Gyrase (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	30
Microbiotix					Assay Description The 50% inhibitory concentration (IC50) is defined as the concentration of compound that inhibits the decatenation of kinetoplast DNA by 50%.				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair