Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'sasaki' and Initial = 'w'   

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 11B2, mitochondrial (Homo sapiens (Human))	BDBM280297 (US10029993, Example 86) Show SMILES Cc1ccccc1-c1cnnc(n1)N1CCN(CC(=O)Nc2cccnc2)CC1 Show InChI InChI=1S/C21H23N7O/c1-16-5-2-3-7-18(16)19-14-23-26-21(25-19)28-11-9-27(10-12-28)15-20(29)24-17-6-4-8-22-13-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280316 (US10029993, Example 183) Show SMILES Cc1ccccc1-c1cnnc(n1)N1CCC(CCCO)CC1 Show InChI InChI=1S/C18H24N4O/c1-14-5-2-3-7-16(14)17-13-19-21-18(20-17)22-10-8-15(9-11-22)6-4-12-23/h2-3,5,7,13,15,23H,4,6,8-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280305 (US10029993, Example 154) Show SMILES Cc1nc[nH]c1CN1CCC(CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H32ClN9O/c1-18-23(28-17-27-18)15-33-8-6-21(7-9-33)30-24(36)16-34-10-12-35(13-11-34)25-31-22(14-29-32-25)19-2-4-20(26)5-3-19/h2-5,14,17,21H,6-13,15-16H2,1H3,(H,27,28)(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275535 (CHEMBL4126893) Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1cnccn1)C#N |r| Show InChI InChI=1S/C18H15N5O/c1-12-6-13(8-19)2-3-15(12)16-9-22-23-11-14(7-17(16)23)24-18-10-20-4-5-21-18/h2-6,9-10,14H,7,11H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275544 (CHEMBL4127675) Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncc(cn1)C#N)C#N |r| Show InChI InChI=1S/C19H14N6O/c1-12-4-13(6-20)2-3-16(12)17-10-24-25-11-15(5-18(17)25)26-19-22-8-14(7-21)9-23-19/h2-4,8-10,15H,5,11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275496 (CHEMBL4127904) Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCc1ccccc1)C#N |r| Show InChI InChI=1S/C21H19N3O/c1-15-9-17(11-22)7-8-19(15)20-12-23-24-13-18(10-21(20)24)25-14-16-5-3-2-4-6-16/h2-9,12,18H,10,13-14H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280321 (US10029993, Example 211) Show SMILES Cn1c(cc2ccccc12)-c1cnnc(n1)N1CCOCC1 Show InChI InChI=1S/C16H17N5O/c1-20-14-5-3-2-4-12(14)10-15(20)13-11-17-19-16(18-13)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280326 (US10029993, Example 221) Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H23F3N6O/c1-13(2)24-17(29)12-27-7-9-28(10-8-27)18-25-16(11-23-26-18)14-3-5-15(6-4-14)19(20,21)22/h3-6,11,13H,7-10,12H2,1-2H3,(H,24,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275497 (CHEMBL4125850) Show SMILES Cc1cc(ccc1-c1cnc2CCCn12)C#N Show InChI InChI=1S/C14H13N3/c1-10-7-11(8-15)4-5-12(10)13-9-16-14-3-2-6-17(13)14/h4-5,7,9H,2-3,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280292 (US10029993, Example 81) Show SMILES CNC(=O)Cn1cc(NC(=O)CN2CCN(CC2)c2nncc(n2)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C21H24ClN9O2/c1-23-19(32)14-31-12-17(10-25-31)26-20(33)13-29-6-8-30(9-7-29)21-27-18(11-24-28-21)15-2-4-16(22)5-3-15/h2-5,10-12H,6-9,13-14H2,1H3,(H,23,32)(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280324 (US10029993, Example 219) Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C20H26N6O2/c1-14(2)22-19(27)13-25-6-8-26(9-7-25)20-23-17(12-21-24-20)15-3-4-18-16(11-15)5-10-28-18/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275533 (CHEMBL4129296) Show SMILES CO[C@@H]1Cc2c(cnn2C1)-c1ccc(cc1C)C#N |r| Show InChI InChI=1S/C15H15N3O/c1-10-5-11(7-16)3-4-13(10)14-8-17-18-9-12(19-2)6-15(14)18/h3-5,8,12H,6,9H2,1-2H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275511 (CHEMBL4128315) Show SMILES Cc1cc(ccc1-c1cnn2CCCc12)C#N Show InChI InChI=1S/C14H13N3/c1-10-7-11(8-15)4-5-12(10)13-9-16-17-6-2-3-14(13)17/h4-5,7,9H,2-3,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275494 (CHEMBL4129177) Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncccn1)C#N |r| Show InChI InChI=1S/C18H15N5O/c1-12-7-13(9-19)3-4-15(12)16-10-22-23-11-14(8-17(16)23)24-18-20-5-2-6-21-18/h2-7,10,14H,8,11H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275543 (CHEMBL4125736) Show SMILES Cc1cnc(O[C@@H]2Cc3c(cnn3C2)-c2ccc(cc2C)C#N)nc1 |r| Show InChI InChI=1S/C19H17N5O/c1-12-8-21-19(22-9-12)25-15-6-18-17(10-23-24(18)11-15)16-4-3-14(7-20)5-13(16)2/h3-5,8-10,15H,6,11H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280291 (US10029993, Example 80) Show SMILES CNC(=O)Cn1cc(NC(=O)CN2CCN(CC2)c2nncc(n2)-c2ccc(F)cc2)cn1 Show InChI InChI=1S/C21H24FN9O2/c1-23-19(32)14-31-12-17(10-25-31)26-20(33)13-29-6-8-30(9-7-29)21-27-18(11-24-28-21)15-2-4-16(22)5-3-15/h2-5,10-12H,6-9,13-14H2,1H3,(H,23,32)(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280290 (US10029993, Example 79) Show SMILES CNC(=O)Cn1cc(NC(=O)CN2CCN(CC2)c2nncc(n2)-c2ccc(C)cc2)cn1 Show InChI InChI=1S/C22H27N9O2/c1-16-3-5-17(6-4-16)19-12-24-28-22(27-19)30-9-7-29(8-10-30)14-21(33)26-18-11-25-31(13-18)15-20(32)23-2/h3-6,11-13H,7-10,14-15H2,1-2H3,(H,23,32)(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280289 (US10029993, Example 76) Show SMILES CN(C)C(=O)Cn1cc(NC(=O)CN2CCN(CC2)c2nncc(n2)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C22H26ClN9O2/c1-29(2)21(34)15-32-13-18(11-25-32)26-20(33)14-30-7-9-31(10-8-30)22-27-19(12-24-28-22)16-3-5-17(23)6-4-16/h3-6,11-13H,7-10,14-15H2,1-2H3,(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275514 (CHEMBL4129619) Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncc(F)cn1)C#N |r| Show InChI InChI=1S/C18H14FN5O/c1-11-4-12(6-20)2-3-15(11)16-9-23-24-10-14(5-17(16)24)25-18-21-7-13(19)8-22-18/h2-4,7-9,14H,5,10H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280277 (US10029993, Example 40) Show SMILES CN([C@H]1CC[C@@H](CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(F)cc1)C(C)=O |r,wU:2.1,wD:5.8,(13.05,1.44,;13.05,-.1,;11.71,-.87,;11.71,-2.41,;10.38,-3.18,;9.05,-2.41,;9.05,-.87,;10.38,-.1,;7.71,-3.18,;6.38,-2.41,;6.38,-.87,;5.04,-3.18,;3.71,-2.41,;2.38,-3.18,;1.04,-2.41,;1.04,-.87,;2.38,-.1,;3.71,-.87,;-.29,-.1,;-.29,1.44,;-1.62,2.21,;-2.96,1.44,;-2.96,-.1,;-1.62,-.87,;-4.29,-.87,;-5.62,-.1,;-6.96,-.87,;-6.96,-2.41,;-8.29,-3.18,;-5.63,-3.18,;-4.29,-2.41,;14.38,-.87,;15.71,-.1,;14.38,-2.41,)| Show InChI InChI=1S/C24H32FN7O2/c1-17(33)30(2)21-9-7-20(8-10-21)27-23(34)16-31-11-13-32(14-12-31)24-28-22(15-26-29-24)18-3-5-19(25)6-4-18/h3-6,15,20-21H,7-14,16H2,1-2H3,(H,27,34)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280314 (US10029993, Example 178) Show SMILES Clc1ccc(cc1)-c1cnnc(n1)N1CCN(CC1)C1CCOCC1 Show InChI InChI=1S/C18H22ClN5O/c19-15-3-1-14(2-4-15)17-13-20-22-18(21-17)24-9-7-23(8-10-24)16-5-11-25-12-6-16/h1-4,13,16H,5-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275531 (CHEMBL4128167) Show SMILES Clc1cc(ccc1-c1cnn2CCCc12)C#N Show InChI InChI=1S/C13H10ClN3/c14-12-6-9(7-15)3-4-10(12)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280311 (US10029993, Example 166a) Show SMILES O[C@@H]1COCC[C@@H]1NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H25ClN6O3/c21-15-3-1-14(2-4-15)17-11-22-25-20(24-17)27-8-6-26(7-9-27)12-19(29)23-16-5-10-30-13-18(16)28/h1-4,11,16,18,28H,5-10,12-13H2,(H,23,29)/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280317 (US10029993, Example 188) Show SMILES Cc1ccccc1-c1cnnc(n1)N1CC[C@H](C1)Oc1ccncc1 |r| Show InChI InChI=1S/C19H19N5O/c1-14-4-2-3-5-17(14)18-12-21-23-19(22-18)24-11-8-16(13-24)25-15-6-9-20-10-7-15/h2-7,9-10,12,16H,8,11,13H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280309 (US10029993, Example 161) Show SMILES C[C@H]1COCCC1NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H27ClN6O2/c1-15-14-30-11-6-18(15)24-20(29)13-27-7-9-28(10-8-27)21-25-19(12-23-26-21)16-2-4-17(22)5-3-16/h2-5,12,15,18H,6-11,13-14H2,1H3,(H,24,29)/t15-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280287 (US10029993, Example 71) Show SMILES CN(C)C(=O)Cn1cc(NC(=O)CN2CCN(CC2)c2nncc(n2)-c2ccc(F)cc2)cn1 Show InChI InChI=1S/C22H26FN9O2/c1-29(2)21(34)15-32-13-18(11-25-32)26-20(33)14-30-7-9-31(10-8-30)22-27-19(12-24-28-22)16-3-5-17(23)6-4-16/h3-6,11-13H,7-10,14-15H2,1-2H3,(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280315 (US10029993, Example 180) Show SMILES CC(C)NC(=O)NC1CCN(CC1)c1nncc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H23FN6O/c1-12(2)21-18(26)22-15-7-9-25(10-8-15)17-23-16(11-20-24-17)13-3-5-14(19)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280298 (US10029993, Example 115) Show SMILES Fc1ccc(cc1)-c1cnnc(n1)N1CCN(CC(=O)NN2CCCC2)CC1 Show InChI InChI=1S/C19H24FN7O/c20-16-5-3-15(4-6-16)17-13-21-23-19(22-17)26-11-9-25(10-12-26)14-18(28)24-27-7-1-2-8-27/h3-6,13H,1-2,7-12,14H2,(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280281 (US10029993, Example 50) Show SMILES Cc1ccc(cc1)-c1cnnc(n1)N1CCN(CC(=O)N[C@H]2CC[C@@H](CC2)S(C)(=O)=O)CC1 |r,wU:24.29,wD:21.22,(-8.29,-3.18,;-6.96,-2.41,;-6.96,-.87,;-5.62,-.1,;-4.29,-.87,;-4.29,-2.41,;-5.62,-3.18,;-2.96,-.1,;-2.96,1.44,;-1.62,2.21,;-.29,1.44,;-.29,-.1,;-1.62,-.87,;1.04,-.87,;1.04,-2.41,;2.38,-3.18,;3.71,-2.41,;5.04,-3.18,;6.38,-2.41,;6.38,-.87,;7.71,-3.18,;9.04,-2.41,;10.38,-3.18,;11.71,-2.41,;11.71,-.87,;10.38,-.1,;9.04,-.87,;13.05,-.1,;14.38,-.87,;13.05,1.44,;13.05,-1.64,;3.71,-.87,;2.38,-.1,)| Show InChI InChI=1S/C23H32N6O3S/c1-17-3-5-18(6-4-17)21-15-24-27-23(26-21)29-13-11-28(12-14-29)16-22(30)25-19-7-9-20(10-8-19)33(2,31)32/h3-6,15,19-20H,7-14,16H2,1-2H3,(H,25,30)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275517 (CHEMBL4127082) Show SMILES Cc1cc(ccc1C#N)-c1cnn2CCCc12 Show InChI InChI=1S/C14H13N3/c1-10-7-11(4-5-12(10)8-15)13-9-16-17-6-2-3-14(13)17/h4-5,7,9H,2-3,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280267 (US10029993, Example 12) Show SMILES Cc1ccccc1-c1cnnc(n1)N1CCN(CC(=O)NC2CC[C@@](C)(O)CC2)CC1 |r,wU:24.26,wD:24.27,(-5.63,1.44,;-5.63,-.1,;-6.96,-.87,;-6.96,-2.41,;-5.63,-3.18,;-4.29,-2.41,;-4.29,-.87,;-2.96,-.1,;-2.96,1.44,;-1.63,2.21,;-.29,1.44,;-.29,-.1,;-1.63,-.87,;1.04,-.87,;1.04,-2.41,;2.38,-3.18,;3.71,-2.41,;5.04,-3.18,;6.38,-2.41,;6.38,-.87,;7.71,-3.18,;9.04,-2.41,;10.38,-3.18,;11.71,-2.41,;11.71,-.87,;13.05,-.1,;13.05,-1.64,;10.38,-.1,;9.04,-.87,;3.71,-.87,;2.38,-.1,)| Show InChI InChI=1S/C23H32N6O2/c1-17-5-3-4-6-19(17)20-15-24-27-22(26-20)29-13-11-28(12-14-29)16-21(30)25-18-7-9-23(2,31)10-8-18/h3-6,15,18,31H,7-14,16H2,1-2H3,(H,25,30)/t18?,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280282 (US10029993, Example 54) Show SMILES CN1CC[C@@H](CC1=O)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClN7O2/c1-27-7-6-17(12-20(27)31)24-19(30)14-28-8-10-29(11-9-28)21-25-18(13-23-26-21)15-2-4-16(22)5-3-15/h2-5,13,17H,6-12,14H2,1H3,(H,24,30)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280331 (US10029993, Example 251) Show SMILES CC(C)CC(=O)NN1CCN(CC1)c1nncc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H23ClN6O/c1-13(2)11-17(26)23-25-9-7-24(8-10-25)18-21-16(12-20-22-18)14-3-5-15(19)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280294 (US10029993, Example 83) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1cc(F)ccc1F |r,wU:6.9,wD:3.2,(14.67,1.93,;14.67,.39,;16,-.38,;13.34,-.38,;12,.39,;10.67,-.38,;10.67,-1.92,;12,-2.69,;13.34,-1.92,;9.34,-2.69,;8,-1.92,;8,-.38,;6.67,-2.69,;5.33,-1.92,;4,-2.69,;2.67,-1.92,;2.67,-.38,;4,.38,;5.33,-.38,;1.33,.38,;1.33,1.92,;,2.69,;-1.33,1.92,;-1.33,.38,;,-.38,;-2.67,-.38,;-2.67,-1.92,;-4,-2.69,;-4,-4.23,;-5.33,-1.92,;-5.33,-.38,;-4,.38,;-4,1.92,)| Show InChI InChI=1S/C23H31F2N7O/c1-30(2)18-6-4-17(5-7-18)27-22(33)15-31-9-11-32(12-10-31)23-28-21(14-26-29-23)19-13-16(24)3-8-20(19)25/h3,8,13-14,17-18H,4-7,9-12,15H2,1-2H3,(H,27,33)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280288 (US10029993, Example 75) Show SMILES CN(C)C(=O)Cn1cc(NC(=O)CN2CCN(CC2)c2nncc(n2)-c2ccc(C)cc2)cn1 Show InChI InChI=1S/C23H29N9O2/c1-17-4-6-18(7-5-17)20-13-24-28-23(27-20)31-10-8-30(9-11-31)15-21(33)26-19-12-25-32(14-19)16-22(34)29(2)3/h4-7,12-14H,8-11,15-16H2,1-3H3,(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280307 (US10029993, Example 159a) Show SMILES CN1CCO[C@@H](CNC(=O)CN2CCN(CC2)c2nncc(n2)-c2ccc(F)cc2)C1 |r| Show InChI InChI=1S/C21H28FN7O2/c1-27-10-11-31-18(14-27)12-23-20(30)15-28-6-8-29(9-7-28)21-25-19(13-24-26-21)16-2-4-17(22)5-3-16/h2-5,13,18H,6-12,14-15H2,1H3,(H,23,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280269 (US10029993, Example 18) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(Cl)cc1 |r,wU:3.2,wD:6.9,(13.05,1.44,;13.05,-.1,;14.38,-.87,;11.71,-.87,;11.71,-2.41,;10.38,-3.18,;9.04,-2.41,;9.04,-.87,;10.38,-.1,;7.71,-3.18,;6.38,-2.41,;6.38,-.87,;5.04,-3.18,;3.71,-2.41,;2.38,-3.18,;1.04,-2.41,;1.04,-.87,;2.38,-.1,;3.71,-.87,;-.29,-.1,;-.29,1.44,;-1.62,2.21,;-2.96,1.44,;-2.96,-.1,;-1.62,-.87,;-4.29,-.87,;-5.63,-.1,;-6.96,-.87,;-6.96,-2.41,;-8.29,-3.18,;-5.63,-3.18,;-4.29,-2.41,)| Show InChI InChI=1S/C23H32ClN7O/c1-29(2)20-9-7-19(8-10-20)26-22(32)16-30-11-13-31(14-12-30)23-27-21(15-25-28-23)17-3-5-18(24)6-4-17/h3-6,15,19-20H,7-14,16H2,1-2H3,(H,26,32)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280274 (US10029993, Example 28) Show SMILES Fc1ccc(cc1)-c1cnnc(n1)N1CCN(CC(=O)N[C@H]2CC[C@@H](CC2)N2CCOCC2)CC1 |r,wU:24.29,wD:21.22,(-8.29,-3.18,;-6.96,-2.41,;-6.96,-.87,;-5.62,-.1,;-4.29,-.87,;-4.29,-2.41,;-5.63,-3.18,;-2.96,-.1,;-2.96,1.44,;-1.62,2.21,;-.29,1.44,;-.29,-.1,;-1.62,-.87,;1.04,-.87,;1.04,-2.41,;2.38,-3.18,;3.71,-2.41,;5.04,-3.18,;6.38,-2.41,;6.38,-.87,;7.71,-3.18,;9.05,-2.41,;10.38,-3.18,;11.71,-2.41,;11.71,-.87,;10.38,-.1,;9.05,-.87,;13.05,-.1,;14.38,-.87,;15.71,-.1,;15.71,1.44,;14.38,2.21,;13.05,1.44,;3.71,-.87,;2.38,-.1,)| Show InChI InChI=1S/C25H34FN7O2/c26-20-3-1-19(2-4-20)23-17-27-30-25(29-23)33-11-9-31(10-12-33)18-24(34)28-21-5-7-22(8-6-21)32-13-15-35-16-14-32/h1-4,17,21-22H,5-16,18H2,(H,28,34)/t21-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280272 (US10029993, Example 26) Show SMILES Fc1ccc(cc1)-c1cnnc(n1)N1CCN(CC(=O)N[C@H]2CC[C@@H](CC2)N2CCNC(=O)C2)CC1 |r,wU:24.29,wD:21.22,(-8.29,-3.18,;-6.96,-2.41,;-6.96,-.87,;-5.63,-.1,;-4.29,-.87,;-4.29,-2.41,;-5.63,-3.18,;-2.96,-.1,;-2.96,1.44,;-1.62,2.21,;-.29,1.44,;-.29,-.1,;-1.62,-.87,;1.04,-.87,;1.04,-2.41,;2.38,-3.18,;3.71,-2.41,;5.04,-3.18,;6.38,-2.41,;6.38,-.87,;7.71,-3.18,;9.05,-2.41,;10.38,-3.18,;11.71,-2.41,;11.71,-.87,;10.38,-.1,;9.05,-.87,;13.05,-.1,;14.38,-.87,;15.71,-.1,;15.71,1.44,;14.38,2.21,;14.38,3.75,;13.05,1.44,;3.71,-.87,;2.38,-.1,)| Show InChI InChI=1S/C25H33FN8O2/c26-19-3-1-18(2-4-19)22-15-28-31-25(30-22)33-13-11-32(12-14-33)16-24(36)29-20-5-7-21(8-6-20)34-10-9-27-23(35)17-34/h1-4,15,20-21H,5-14,16-17H2,(H,27,35)(H,29,36)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280283 (US10029993, Example 55) Show SMILES CNC(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(F)cc1 |r,wU:6.5,wD:9.12,(18.38,-.1,;17.05,-.87,;15.71,-.1,;15.71,1.44,;14.38,-.87,;13.05,-.1,;11.71,-.87,;11.71,-2.41,;10.38,-3.18,;9.04,-2.41,;9.04,-.87,;10.38,-.1,;7.71,-3.18,;6.38,-2.41,;6.38,-.87,;5.04,-3.18,;3.71,-2.41,;2.38,-3.18,;1.04,-2.41,;1.04,-.87,;2.38,-.1,;3.71,-.87,;-.29,-.1,;-.29,1.44,;-1.62,2.21,;-2.96,1.44,;-2.96,-.1,;-1.62,-.87,;-4.29,-.87,;-5.62,-.1,;-6.96,-.87,;-6.96,-2.41,;-8.29,-3.18,;-5.62,-3.18,;-4.29,-2.41,)| Show InChI InChI=1S/C24H32FN7O3/c1-26-23(34)16-35-20-8-6-19(7-9-20)28-22(33)15-31-10-12-32(13-11-31)24-29-21(14-27-30-24)17-2-4-18(25)5-3-17/h2-5,14,19-20H,6-13,15-16H2,1H3,(H,26,34)(H,28,33)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280280 (US10029993, Example 48) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(C)cc1 |r,wU:4.3,wD:7.10,(15.71,-.1,;14.38,-.87,;14.38,-2.41,;13.05,-.1,;11.71,-.87,;11.71,-2.41,;10.38,-3.18,;9.04,-2.41,;9.04,-.87,;10.38,-.1,;7.71,-3.18,;6.38,-2.41,;6.38,-.87,;5.04,-3.18,;3.71,-2.41,;2.38,-3.18,;1.04,-2.41,;1.04,-.87,;2.38,-.1,;3.71,-.87,;-.29,-.1,;-.29,1.44,;-1.62,2.21,;-2.96,1.44,;-2.96,-.1,;-1.62,-.87,;-4.29,-.87,;-5.62,-.1,;-6.96,-.87,;-6.96,-2.41,;-8.29,-3.18,;-5.62,-3.18,;-4.29,-2.41,)| Show InChI InChI=1S/C24H33N7O2/c1-17-3-5-19(6-4-17)22-15-25-29-24(28-22)31-13-11-30(12-14-31)16-23(33)27-21-9-7-20(8-10-21)26-18(2)32/h3-6,15,20-21H,7-14,16H2,1-2H3,(H,26,32)(H,27,33)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50275530 (CHEMBL4129549) Show SMILES Fc1cc(ccc1-c1cnn2CCCc12)C#N Show InChI InChI=1S/C13H10FN3/c14-12-6-9(7-15)3-4-10(12)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280323 (US10029993, Example 218) Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1cccc2CCOCc12 Show InChI InChI=1S/C21H28N6O2/c1-15(2)23-20(28)13-26-7-9-27(10-8-26)21-24-19(12-22-25-21)17-5-3-4-16-6-11-29-14-18(16)17/h3-5,12,15H,6-11,13-14H2,1-2H3,(H,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.80	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280296 (US10029993, Example 85) Show SMILES CNC(=O)CN1CCC(CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C24H34N8O2/c1-18-3-5-19(6-4-18)21-15-26-29-24(28-21)32-13-11-31(12-14-32)17-23(34)27-20-7-9-30(10-8-20)16-22(33)25-2/h3-6,15,20H,7-14,16-17H2,1-2H3,(H,25,33)(H,27,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280285 (US10029993, Example 62) Show SMILES Cc1ccc(cc1)-c1cnnc(n1)N1CCN(CC(=O)NC2CCN(CCNS(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C24H36N8O3S/c1-19-3-5-20(6-4-19)22-17-25-29-24(28-22)32-15-13-31(14-16-32)18-23(33)27-21-7-10-30(11-8-21)12-9-26-36(2,34)35/h3-6,17,21,26H,7-16,18H2,1-2H3,(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280301 (US10029993, Example 141) Show SMILES OC1(CC1)C(=O)N1CC(C1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H26FN7O3/c23-16-3-1-15(2-4-16)18-11-24-27-21(26-18)29-9-7-28(8-10-29)14-19(31)25-17-12-30(13-17)20(32)22(33)5-6-22/h1-4,11,17,33H,5-10,12-14H2,(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280330 (US10029993, Example 244) Show SMILES Cc1ccccc1-c1cnnc(n1)C1CCCN(C1)c1cnccn1 Show InChI InChI=1S/C19H20N6/c1-14-5-2-3-7-16(14)17-11-22-24-19(23-17)15-6-4-10-25(13-15)18-12-20-8-9-21-18/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280312 (US10029993, Example 167a) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H30ClN7O2/c1-16(32)26-19-3-2-4-20(13-19)27-22(33)15-30-9-11-31(12-10-30)23-28-21(14-25-29-23)17-5-7-18(24)8-6-17/h5-8,14,19-20H,2-4,9-13,15H2,1H3,(H,26,32)(H,27,33)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280279 (US10029993, Example 47) Show SMILES Fc1ccc(cc1)-c1cnnc(n1)N1CCN(CC(=O)NCCN2CCS(=O)(=O)CC2)CC1 Show InChI InChI=1S/C21H28FN7O3S/c22-18-3-1-17(2-4-18)19-15-24-26-21(25-19)29-9-7-28(8-10-29)16-20(30)23-5-6-27-11-13-33(31,32)14-12-27/h1-4,15H,5-14,16H2,(H,23,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
					More data for this Ligand-Target Pair

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