BDBM50044425 4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine::4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine::CHEMBL305220

SMILES: Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1

InChI Key: InChIKey=VYNIUBZKEWJOJP-IFMALSPDSA-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 = 50044425   

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 19A1 (Homo sapiens (Human))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for corticoid 11-beta-hydroxylase				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Sterol 14α-demethylase (CYP51) (Homo sapiens (Human))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomes				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Cytochrome P450 51 (Rattus norvegicus)	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Cytochrome P450 51 (Homo sapiens (Human))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for progesterone 17alpha,20-lyase				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for cholesterol 17-alpha-hydroxylase				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against heme oxygenase 1 from rat spleen				Bioorg Med Chem Lett 15: 1457-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.075 BindingDB Entry DOI: 10.7270/Q29886HD
					More data for this Ligand-Target Pair
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM50044425 (4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...) Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against heme oxygenase 2 from rat brain				Bioorg Med Chem Lett 15: 1457-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.075 BindingDB Entry DOI: 10.7270/Q29886HD
					More data for this Ligand-Target Pair