Compile Data Set for Download or QSAR

Found 175 hits with Last Name = 'lasala' and Initial = 'd'   

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 (Homo sapiens (Human))	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Rattus norvegicus)	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323359 ((S)-2-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo...) Show SMILES C[C@H](N1Cc2cncn2C(C[C@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H22ClN3O3S/c1-15(16-7-9-18(22)10-8-16)25-13-19-12-23-14-24(19)21(29(25,27)28)11-20(26)17-5-3-2-4-6-17/h2-10,12,14-15,20-21,26H,11,13H2,1H3/t15-,20-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323356 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymeth...) Show SMILES CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O3S/c1-12(2)24-10-17-20-11-19-8-16(20)9-21(25(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-8,11-13,17H,9-10H2,1-3H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444548 (CHEMBL3099696) Show SMILES Cc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C14H13N3/c1-10-6-11(7-15)2-4-13(10)14-5-3-12-8-16-9-17(12)14/h2,4,6,8-9,14H,3,5H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323355 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-(2-methoxy-2-m...) Show SMILES COC(C)(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C18H24ClN3O3S/c1-13(14-5-7-15(19)8-6-14)22-11-16-10-20-12-21(16)17(26(22,23)24)9-18(2,3)25-4/h5-8,10,12-13,17H,9,11H2,1-4H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Rattus norvegicus)	BDBM50444550 (CHEMBL3099704) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C21H18FN3/c22-17-8-6-16(7-9-17)20-11-15(12-23)5-10-19(20)21-4-2-1-3-18-13-24-14-25(18)21/h5-11,13-14,21H,1-4H2/t21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [166-489] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500190 (CHEMBL3746080) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2ccc(Cl)nc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)19-9-11-6-13(10-18-8-11)14-7-12-4-5-15(17)20-16(12)21(14)2/h4-8,10,19H,3,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323357 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-cyclopropylmet...) Show SMILES C[C@H](N1Cc2cncn2C(CC2CC2)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H20ClN3O2S/c1-12(14-4-6-15(18)7-5-14)21-10-16-9-19-11-20(16)17(24(21,22)23)8-13-2-3-13/h4-7,9,11-13,17H,2-3,8,10H2,1H3/t12-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500191 (CHEMBL3747584) Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12 Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444552 (CHEMBL3099689) Show SMILES Fc1ccc(COC(=O)[C@@]2(CCc3cncn23)c2ccc(cc2Cl)C#N)cc1 |r| Show InChI InChI=1S/C21H15ClFN3O2/c22-19-9-15(10-24)3-6-18(19)21(8-7-17-11-25-13-26(17)21)20(27)28-12-14-1-4-16(23)5-2-14/h1-6,9,11,13H,7-8,12H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50444548 (CHEMBL3099696) Show SMILES Cc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C14H13N3/c1-10-6-11(7-15)2-4-13(10)14-5-3-12-8-16-9-17(12)14/h2,4,6,8-9,14H,3,5H2,1H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50047262 ((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...) Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50047262 ((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...) Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500189 (CHEMBL3746175) Show SMILES CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C Show InChI InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50323360 (4-(7-benzyl-6-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]...) Show SMILES O=C1C(c2ccc(cc2)C#N)n2cncc2CN1Cc1ccccc1 Show InChI InChI=1S/C20H16N4O/c21-10-15-6-8-17(9-7-15)19-20(25)23(12-16-4-2-1-3-5-16)13-18-11-22-14-24(18)19/h1-9,11,14,19H,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444564 (CHEMBL3099682) Show SMILES C1CCc2cncn2[C@H](C1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C20H20N2/c1-2-8-16(9-3-1)18-11-5-6-12-19(18)20-13-7-4-10-17-14-21-15-22(17)20/h1-3,5-6,8-9,11-12,14-15,20H,4,7,10,13H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444565 (CHEMBL3099604) Show SMILES Fc1ccc(cc1)-c1ccccc1[C@H]1CCCCc2cncn12 |r| Show InChI InChI=1S/C20H19FN2/c21-16-11-9-15(10-12-16)18-6-2-3-7-19(18)20-8-4-1-5-17-13-22-14-23(17)20/h2-3,6-7,9-14,20H,1,4-5,8H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323358 ((R)-2-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo...) Show SMILES C[C@H](N1Cc2cncn2C(C[C@@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H22ClN3O3S/c1-15(16-7-9-18(22)10-8-16)25-13-19-12-23-14-24(19)21(29(25,27)28)11-20(26)17-5-3-2-4-6-17/h2-10,12,14-15,20-21,26H,11,13H2,1H3/t15-,20+,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500187 (CHEMBL3747269) Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1 Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323342 (6-(4-Fluoro-benzyl)-4-isobutyl-6,7-dihydro-5-thia-...) Show SMILES CC(C)CC1n2cncc2CN(Cc2ccc(F)cc2)S1(=O)=O Show InChI InChI=1S/C16H20FN3O2S/c1-12(2)7-16-20-11-18-8-15(20)10-19(23(16,21)22)9-13-3-5-14(17)6-4-13/h3-6,8,11-12,16H,7,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition human recombinant CYP11B1 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444561 (CHEMBL3099687) Show SMILES COC(=O)[C@@]1(CCc2cncn12)c1ccc(cc1OC)C#N |r| Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-11(8-17)3-4-13(14)16(15(20)22-2)6-5-12-9-18-10-19(12)16/h3-4,7,9-10H,5-6H2,1-2H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500185 (CHEMBL3746125) Show SMILES Cc1c([nH]c2ccccc12)-c1cccnc1 Show InChI InChI=1S/C14H12N2/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444551 (CHEMBL3099683) Show SMILES Fc1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C15H14FN3/c16-14-7-11(8-17)5-6-13(14)15-4-2-1-3-12-9-18-10-19(12)15/h5-7,9-10,15H,1-4H2/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500188 (CHEMBL3747562) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444552 (CHEMBL3099689) Show SMILES Fc1ccc(COC(=O)[C@@]2(CCc3cncn23)c2ccc(cc2Cl)C#N)cc1 |r| Show InChI InChI=1S/C21H15ClFN3O2/c22-19-9-15(10-24)3-6-18(19)21(8-7-17-11-25-13-26(17)21)20(27)28-12-14-1-4-16(23)5-2-14/h1-6,9,11,13H,7-8,12H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500187 (CHEMBL3747269) Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1 Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-491] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444559 (CHEMBL3099690) Show SMILES COc1cc(ccc1[C@]1(CCc2cncn12)C(=O)N(C)Cc1ccc(F)cc1)C#N |r| Show InChI InChI=1S/C23H21FN4O2/c1-27(14-16-3-6-18(24)7-4-16)22(29)23(10-9-19-13-26-15-28(19)23)20-8-5-17(12-25)11-21(20)30-2/h3-8,11,13,15H,9-10,14H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444555 (CHEMBL3099694) Show SMILES COc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C14H13N3O/c1-18-14-6-10(7-15)2-4-12(14)13-5-3-11-8-16-9-17(11)13/h2,4,6,8-9,13H,3,5H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323343 (6-(4-Chloro-benzyl)-4-isobutyl-6,7-dihydro-5-thia-...) Show SMILES CC(C)CC1n2cncc2CN(Cc2ccc(Cl)cc2)S1(=O)=O Show InChI InChI=1S/C16H20ClN3O2S/c1-12(2)7-16-20-11-18-8-15(20)10-19(23(16,21)22)9-13-3-5-14(17)6-4-13/h3-6,8,11-12,16H,7,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500188 (CHEMBL3747562) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-434] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500190 (CHEMBL3746080) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2ccc(Cl)nc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)19-9-11-6-13(10-18-8-11)14-7-12-4-5-15(17)20-16(12)21(14)2/h4-8,10,19H,3,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50444551 (CHEMBL3099683) Show SMILES Fc1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r| Show InChI InChI=1S/C15H14FN3/c16-14-7-11(8-17)5-6-13(14)15-4-2-1-3-12-9-18-10-19(12)15/h5-7,9-10,15H,1-4H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323354 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-(3-methyl-oxet...) Show SMILES C[C@H](N1Cc2cncn2C(CC2(C)COC2)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H22ClN3O3S/c1-13(14-3-5-15(19)6-4-14)22-9-16-8-20-12-21(16)17(26(22,23)24)7-18(2)10-25-11-18/h3-6,8,12-13,17H,7,9-11H2,1-2H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444548 (CHEMBL3099696) Show SMILES Cc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C14H13N3/c1-10-6-11(7-15)2-4-13(10)14-5-3-12-8-16-9-17(12)14/h2,4,6,8-9,14H,3,5H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase WNK1 [1-444] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500191 (CHEMBL3747584) Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12 Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323351 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isobutyl-6,7-d...) Show SMILES CC(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O2S/c1-12(2)8-17-20-11-19-9-16(20)10-21(24(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-7,9,11-13,17H,8,10H2,1-3H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50047262 ((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...) Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay				ACS Med Chem Lett 4: 1203-7 (2013) Article DOI: 10.1021/ml400324c BindingDB Entry DOI: 10.7270/Q2NZ8938
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50047262 ((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...) Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair				3D Structure (crystal)

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