Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' AND taxid = 9913   

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
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028166 (CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...) Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine adrenal gland 11beta-hydroxylase assessed as inhibition of [14C]-deoxycorticosterone hydroxylation				J Med Chem 20: 762-6 (1977) BindingDB Entry DOI: 10.7270/Q2639R92
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50004441 ((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50004442 ((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450				J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028169 (3-(1,1-Dimethyl-2-phenyl-ethyl)-pyridine | CHEMBL4...) Show SMILES CC(C)(Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C15H17N/c1-15(2,14-9-6-10-16-12-14)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028171 (2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-ol | CHE...) Show SMILES CC(C)(C(O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C15H17NO/c1-15(2,13-9-6-10-16-11-13)14(17)12-7-4-3-5-8-12/h3-11,14,17H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028163 (3-(2-Chloro-1,1-dimethyl-2-phenyl-ethyl)-pyridine ...) Show SMILES CC(C)(C(Cl)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C15H16ClN/c1-15(2,13-9-6-10-17-11-13)14(16)12-7-4-3-5-8-12/h3-11,14H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028165 (2-Methyl-1,2-di-pyridin-3-yl-propane | CHEMBL54171) Show SMILES CC(C)(Cc1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H16N2/c1-14(2,13-6-4-8-16-11-13)9-12-5-3-7-15-10-12/h3-8,10-11H,9H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028170 (2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-one | CH...) Show SMILES CC(C)(C(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C15H15NO/c1-15(2,13-9-6-10-16-11-13)14(17)12-7-4-3-5-8-12/h3-11H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028158 (2-Methyl-1,2-di-pyridin-3-yl-propan-1-one oxime | ...) Show SMILES CC(C)(C(N=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H15N3O/c1-14(2,12-6-4-8-16-10-12)13(17-18)11-5-3-7-15-9-11/h3-10,13H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028168 (2-Methyl-1,2-di-pyridin-3-yl-propyliodide | CHEMBL...) Show SMILES CC(C)(C(I)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H15IN2/c1-14(2,12-6-4-8-17-10-12)13(15)11-5-3-7-16-9-11/h3-10,13H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028160 (2-Methyl-1,2-di-pyridin-3-yl-propan-1-ol | 2-methy...) Show SMILES CC(C)(C(O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H16N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10,13,17H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028167 (2-Methyl-1,2-di-pyridin-3-yl-propylchloride | CHEM...) Show SMILES CC(C)(C(Cl)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H15ClN2/c1-14(2,12-6-4-8-17-10-12)13(15)11-5-3-7-16-9-11/h3-10,13H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028161 (2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane | CH...) Show SMILES COC(c1cccnc1)C(C)(C)c1cccnc1 Show InChI InChI=1S/C15H18N2O/c1-15(2,13-7-5-9-17-11-13)14(18-3)12-6-4-8-16-10-12/h4-11,14H,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028159 (1-Phenyl-2-pyridin-3-yl-propan-1-one | CHEMBL53248) Show SMILES CC(C(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H13NO/c1-11(13-8-5-9-15-10-13)14(16)12-6-3-2-4-7-12/h2-11H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028166 (CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...) Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028164 (CHEMBL57308 | N-(2-Methyl-1,2-di-pyridin-3-yl-prop...) Show SMILES CC(=O)NC(c1cccnc1)C(C)(C)c1cccnc1 Show InChI InChI=1S/C16H19N3O/c1-12(20)19-15(13-6-4-8-17-10-13)16(2,3)14-7-5-9-18-11-14/h4-11,15H,1-3H3,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028162 (1-Phenyl-2-pyridin-3-yl-ethanone | CHEMBL57058) Show SMILES O=C(Cc1cccnc1)c1ccccc1 Show InChI InChI=1S/C13H11NO/c15-13(12-6-2-1-3-7-12)9-11-5-4-8-14-10-11/h1-8,10H,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028157 (2-Methyl-1,2-di-pyridin-3-yl-propylamine | CHEMBL5...) Show SMILES CC(C)(C(N)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H17N3/c1-14(2,12-6-4-8-17-10-12)13(15)11-5-3-7-16-9-11/h3-10,13H,15H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase				J Med Chem 27: 15-9 (1984) BindingDB Entry DOI: 10.7270/Q25Q4V3M
					More data for this Ligand-Target Pair