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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'beil' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 11B1


(Rattus norvegicus)
BDBM50444550
PNG
(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

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n/an/a 0.300n/an/an/an/an/an/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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50444550
PNG
(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

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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444550
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444549
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444548
PNG
(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
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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


(Rattus norvegicus)
BDBM50444550
PNG
(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
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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
With-No-Lysine (K) Kinase 2 (WNK2)


(Homo sapiens (Human))
BDBM203827
PNG
(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)
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444550
PNG
(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
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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
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444552
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50047262
PNG
((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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444564
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444565
PNG
(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
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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))
BDBM50444549
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444561
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444551
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444552
PNG
(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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444555
PNG
(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
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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
With-No-Lysine (K) Kinase 1 (WNK1)


(Homo sapiens (Human))
BDBM203827
PNG
(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)
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444559
PNG
(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
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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
With-No-Lysine (K) Kinase 3 (WNK3)


(Homo sapiens (Human))
BDBM203827
PNG
(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)
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n/an/a 6n/an/an/an/a7.325



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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50444551
PNG
(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
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n/an/a 7.20n/an/an/an/an/an/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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444548
PNG
(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
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n/an/a 8n/an/an/an/an/an/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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444549
PNG
(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
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n/an/a 9n/an/an/an/an/an/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
With-No-Lysine (K) Kinase 4 (WNK4)


(Homo sapiens (Human))
BDBM203827
PNG
(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)
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n/an/a 9n/an/an/an/a7.325



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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50047262
PNG
((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
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n/an/a 9.5n/an/an/an/an/an/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
3D Structure (crystal)
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119751
PNG
(2-{[1-(2-Mercapto-4-methyl-pentanoylamino)-cyclope...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(nc1)-c1cccs1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-15(2)12-19(32)21(28)27-24(9-3-4-10-24)23(31)26-18(22(29)30)13-16-7-8-17(25-14-16)20-6-5-11-33-20/h5-8,11,14-15,18-19,32H,3-4,9-10,12-13H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t18-,19-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119742
PNG
(2-{[1-(2-Mercapto-4-methyl-pentanoylamino)-cyclope...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-15(2)11-20(32)21(28)27-24(8-3-4-9-24)23(31)26-19(22(29)30)12-16-5-6-18(25-13-16)17-7-10-33-14-17/h5-7,10,13-15,19-20,32H,3-4,8-9,11-12H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50444554
PNG
(CHEMBL3099697)
Show SMILES Brc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
Show InChI InChI=1S/C13H10BrN3/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
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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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091878
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-3-methox...)
Show SMILES COC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-32-16-21(33)22(28)27-25(13-5-6-14-25)24(31)26-20(23(29)30)15-17-9-11-19(12-10-17)18-7-3-2-4-8-18/h2-4,7-12,20-21,33H,5-6,13-16H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t20-,21-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity


Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091882
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-1-oxo-pe...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-8-22(33)23(29)28-26(15-6-7-16-26)25(32)27-21(24(30)31)17-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-5,9-14,21-22,33H,2,6-8,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity


Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091882
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-1-oxo-pe...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-8-22(33)23(29)28-26(15-6-7-16-26)25(32)27-21(24(30)31)17-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-5,9-14,21-22,33H,2,6-8,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091882
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-1-oxo-pe...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-8-22(33)23(29)28-26(15-6-7-16-26)25(32)27-21(24(30)31)17-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-5,9-14,21-22,33H,2,6-8,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1


Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50444556
PNG
(CHEMBL3099693)
Show SMILES Clc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
Show InChI InChI=1S/C13H10ClN3/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
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n/an/a 13n/an/an/an/an/an/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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444563
PNG
(CHEMBL3099684)
Show SMILES Clc1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r|
Show InChI InChI=1S/C15H14ClN3/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
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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 (CYP11B2)


(Homo sapiens (Human))
BDBM50444553
PNG
(CHEMBL3099686)
Show SMILES COC(=O)[C@@]1(CCc2cncn12)c1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C15H12ClN3O2/c1-21-14(20)15(5-4-11-8-18-9-19(11)15)12-3-2-10(7-17)6-13(12)16/h2-3,6,8-9H,4-5H2,1H3/t15-/m1/s1
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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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091888
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-4-methyl...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H34N2O4S/c1-18(2)16-23(34)24(30)29-27(14-6-7-15-27)26(33)28-22(25(31)32)17-19-10-12-21(13-11-19)20-8-4-3-5-9-20/h3-5,8-13,18,22-23,34H,6-7,14-17H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)/t22-,23-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity


Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119746
PNG
(2-{[1-((S)-3-Cyclohexyl-2-mercapto-propionylamino)...)
Show SMILES OC(=O)C(Cc1ccc(nc1)-c1ccsc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)CC1CCCCC1
Show InChI InChI=1S/C27H35N3O4S2/c31-24(23(35)15-18-6-2-1-3-7-18)30-27(11-4-5-12-27)26(34)29-22(25(32)33)14-19-8-9-21(28-16-19)20-10-13-36-17-20/h8-10,13,16-18,22-23,35H,1-7,11-12,14-15H2,(H,29,34)(H,30,31)(H,32,33)/t22?,23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119757
PNG
(2-{[1-((S)-2-Mercapto-hexanoylamino)-cyclopentanec...)
Show SMILES CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-2-3-6-20(32)21(28)27-24(10-4-5-11-24)23(31)26-19(22(29)30)13-16-7-8-18(25-14-16)17-9-12-33-15-17/h7-9,12,14-15,19-20,32H,2-6,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Rattus norvegicus)
BDBM50444548
PNG
(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
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n/an/a 24n/an/an/an/an/an/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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119748
PNG
(2-{[1-(2-Mercapto-pentanoylamino)-cyclopentanecarb...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C23H29N3O4S2/c1-2-5-19(31)20(27)26-23(9-3-4-10-23)22(30)25-18(21(28)29)12-15-6-7-17(24-13-15)16-8-11-32-14-16/h6-8,11,13-14,18-19,31H,2-5,9-10,12H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t18?,19-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50047262
PNG
((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
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n/an/a 30n/an/an/an/an/an/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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119744
PNG
(2-{[1-(2-Mercapto-3-methyl-butyrylamino)-cyclopent...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C23H29N3O4S2/c1-14(2)19(31)20(27)26-23(8-3-4-9-23)22(30)25-18(21(28)29)11-15-5-6-17(24-12-15)16-7-10-32-13-16/h5-7,10,12-14,18-19,31H,3-4,8-9,11H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18?,19-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50444570
PNG
(CHEMBL3099699)
Show SMILES C1C[C@H](c2ccccc2-c2ccccc2)n2cncc2C1 |r|
Show InChI InChI=1S/C19H18N2/c1-2-7-15(8-3-1)17-10-4-5-11-18(17)19-12-6-9-16-13-20-14-21(16)19/h1-5,7-8,10-11,13-14,19H,6,9,12H2/t19-/m1/s1
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n/an/a 37n/an/an/an/an/an/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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119758
PNG
(3-(6-Furan-3-yl-pyridin-3-yl)-2-{[1-(2-mercapto-3-...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccoc1)C(O)=O
Show InChI InChI=1S/C23H29N3O5S/c1-14(2)19(32)20(27)26-23(8-3-4-9-23)22(30)25-18(21(28)29)11-15-5-6-17(24-12-15)16-7-10-31-13-16/h5-7,10,12-14,18-19,32H,3-4,8-9,11H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18?,19-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50091883
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-4-methyl...)
Show SMILES CSCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S2/c1-34-16-13-22(33)23(29)28-26(14-5-6-15-26)25(32)27-21(24(30)31)17-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-4,7-12,21-22,33H,5-6,13-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity


Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
More data for this
Ligand-Target Pair
With-No-Lysine (K) Kinase 1 (WNK1)


(Homo sapiens (Human))
BDBM203827
PNG
(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)
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n/an/a 41n/an/an/an/a7.34



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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119749
PNG
(3-[2,3']Bipyridinyl-5-yl-2-{[1-(2-mercapto-3-methy...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1cccnc1)C(O)=O
Show InChI InChI=1S/C24H30N4O4S/c1-15(2)20(33)21(29)28-24(9-3-4-10-24)23(32)27-19(22(30)31)12-16-7-8-18(26-13-16)17-6-5-11-25-14-17/h5-8,11,13-15,19-20,33H,3-4,9-10,12H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t19?,20-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50444551
PNG
(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
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n/an/a 42n/an/an/an/an/an/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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119750
PNG
(3-(6-Furan-2-yl-pyridin-3-yl)-2-{[1-(2-mercapto-3-...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccco1)C(O)=O
Show InChI InChI=1S/C23H29N3O5S/c1-14(2)19(32)20(27)26-23(9-3-4-10-23)22(30)25-17(21(28)29)12-15-7-8-16(24-13-15)18-6-5-11-31-18/h5-8,11,13-14,17,19,32H,3-4,9-10,12H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t17?,19-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
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