null

SMILES: CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O

InChI Key: InChIKey=RJDAWNNBHDXTNY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 93133   

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
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM93133 (PBQ2) Show SMILES CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9| Show InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h7-9,19-21H,4-6H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
University of the West Indies					Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d...				Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM93133 (PBQ2) Show SMILES CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9| Show InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h7-9,19-21H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the West Indies					Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d...				Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM93133 (PBQ2) Show SMILES CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9| Show InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h7-9,19-21H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the West Indies					Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d...				Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM93133 (PBQ2) Show SMILES CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9| Show InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h7-9,19-21H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of the West Indies					Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d...				Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM93133 (PBQ2) Show SMILES CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9| Show InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h7-9,19-21H,4-6H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the West Indies					Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d...				Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM93133 (PBQ2) Show SMILES CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9| Show InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h7-9,19-21H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of the West Indies					Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d...				Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM
					More data for this Ligand-Target Pair