Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.5 BDBM50023349

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (Homo sapiens (Human))	BDBM50023349 (CHEMBL3329770) Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC Show InChI InChI=1S/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...				J Med Chem 57: 7702-15 (2014) Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND
					More data for this Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (Mus musculus)	BDBM50023349 (CHEMBL3329770) Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC Show InChI InChI=1S/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2...				J Med Chem 57: 7702-15 (2014) Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND
					More data for this Ligand-Target Pair
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (Homo sapiens (Human))	BDBM50023349 (CHEMBL3329770) Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC Show InChI InChI=1S/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...				J Med Chem 57: 7702-15 (2014) Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND
					More data for this Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (Mus musculus)	BDBM50023349 (CHEMBL3329770) Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC Show InChI InChI=1S/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2...				J Med Chem 57: 7702-15 (2014) Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND
					More data for this Ligand-Target Pair