BDBM21165 1-{[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl}-1H-1,2,4-triazole::Triazole-based ligand, 16

SMILES: Clc1ccc(c(Cl)c1)C1(Cn2cncn2)CC(Br)CO1

InChI Key: InChIKey=HJJVPARKXDDIQD-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 21165   

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 2C9 (Homo sapiens (Human))	BDBM21165 (1-{[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]meth...) Show SMILES Clc1ccc(c(Cl)c1)C1(Cn2cncn2)CC(Br)CO1 Show InChI InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description The inhibition of recombinant human CYP2C9 was measured as the ability to perform a demethylation of 7-methoxy-4-trifluoromethylcoumarin (MFC). Befor...				J Med Chem 51: 1755-1763 (2008) Article DOI: 10.1021/jm701121y BindingDB Entry DOI: 10.7270/Q20Z71KZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM21165 (1-{[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]meth...) Show SMILES Clc1ccc(c(Cl)c1)C1(Cn2cncn2)CC(Br)CO1 Show InChI InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
AstraZeneca					Assay Description The inhibition of recombinant human CYP3A4 was measured as the ability to perform a debenzylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Bef...				J Med Chem 51: 1755-1763 (2008) Article DOI: 10.1021/jm701121y BindingDB Entry DOI: 10.7270/Q20Z71KZ
					More data for this Ligand-Target Pair