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PubMed code 22788843

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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, mitochondrial


(Homo sapiens (Human))		BDBM50395460
PNG
(CHEMBL2163638)
Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 2.20n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395459
PNG
(CHEMBL2163640)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CCC1)n1ccnc1
Show InChI InChI=1S/C19H21N3O/c23-17-5-4-14-10-16(11-15-6-8-22(17)19(14)15)18(13-2-1-3-13)21-9-7-20-12-21/h7,9-13,18H,1-6,8H2
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n/an/a 3.40n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395460
PNG
(CHEMBL2163638)
Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395459
PNG
(CHEMBL2163640)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CCC1)n1ccnc1
Show InChI InChI=1S/C19H21N3O/c23-17-5-4-14-10-16(11-15-6-8-22(17)19(14)15)18(13-2-1-3-13)21-9-7-20-12-21/h7,9-13,18H,1-6,8H2
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n/an/a 4.20n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395458
PNG
(CHEMBL2163637)
Show SMILES CCC(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C17H19N3O/c1-2-15(19-8-6-18-11-19)14-9-12-3-4-16(21)20-7-5-13(10-14)17(12)20/h6,8-11,15H,2-5,7H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395458
PNG
(CHEMBL2163637)
Show SMILES CCC(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C17H19N3O/c1-2-15(19-8-6-18-11-19)14-9-12-3-4-16(21)20-7-5-13(10-14)17(12)20/h6,8-11,15H,2-5,7H2,1H3
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n/an/a 6.5n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 10.3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 10.3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395456
PNG
(CHEMBL2163651)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1cccs1)n1ccnc1
Show InChI InChI=1S/C19H17N3OS/c23-17-4-3-13-10-15(11-14-5-7-22(17)18(13)14)19(16-2-1-9-24-16)21-8-6-20-12-21/h1-2,6,8-12,19H,3-5,7H2
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n/an/a 13n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395457
PNG
(CHEMBL2163636)
Show SMILES CC(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C16H17N3O/c1-11(18-7-5-17-10-18)14-8-12-2-3-15(20)19-6-4-13(9-14)16(12)19/h5,7-11H,2-4,6H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395447
PNG
(CHEMBL2163641)
Show SMILES C=C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C16H15N3O/c1-11(18-7-5-17-10-18)14-8-12-2-3-15(20)19-6-4-13(9-14)16(12)19/h5,7-10H,1-4,6H2
PDB
MMDB

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n/an/a 17n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental CYP19 using androstenedione substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395457
PNG
(CHEMBL2163636)
Show SMILES CC(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C16H17N3O/c1-11(18-7-5-17-10-18)14-8-12-2-3-15(20)19-6-4-13(9-14)16(12)19/h5,7-11H,2-4,6H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395454
PNG
(CHEMBL2163643)
Show SMILES Fc1cccc(c1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C21H18FN3O/c22-18-3-1-2-14(12-18)20(24-9-7-23-13-24)17-10-15-4-5-19(26)25-8-6-16(11-17)21(15)25/h1-3,7,9-13,20H,4-6,8H2
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n/an/a 18n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395456
PNG
(CHEMBL2163651)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1cccs1)n1ccnc1
Show InChI InChI=1S/C19H17N3OS/c23-17-4-3-13-10-15(11-14-5-7-22(17)18(13)14)19(16-2-1-9-24-16)21-8-6-20-12-21/h1-2,6,8-12,19H,3-5,7H2
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n/an/a 18n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395447
PNG
(CHEMBL2163641)
Show SMILES C=C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C16H15N3O/c1-11(18-7-5-17-10-18)14-8-12-2-3-15(20)19-6-4-13(9-14)16(12)19/h5,7-10H,1-4,6H2
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n/an/a 19n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395452
PNG
(CHEMBL2163642)
Show SMILES Fc1ccccc1C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C21H18FN3O/c22-18-4-2-1-3-17(18)21(24-10-8-23-13-24)16-11-14-5-6-19(26)25-9-7-15(12-16)20(14)25/h1-4,8,10-13,21H,5-7,9H2
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n/an/a 19n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395451
PNG
(CHEMBL2163650)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccco1)n1ccnc1
Show InChI InChI=1S/C19H17N3O2/c23-17-4-3-13-10-15(11-14-5-7-22(17)18(13)14)19(16-2-1-9-24-16)21-8-6-20-12-21/h1-2,6,8-12,19H,3-5,7H2
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n/an/a 20n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 24n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395453
PNG
(CHEMBL2163644)
Show SMILES Fc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C21H18FN3O/c22-18-4-1-14(2-5-18)20(24-10-8-23-13-24)17-11-15-3-6-19(26)25-9-7-16(12-17)21(15)25/h1-2,4-5,8,10-13,20H,3,6-7,9H2
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n/an/a 27n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395453
PNG
(CHEMBL2163644)
Show SMILES Fc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C21H18FN3O/c22-18-4-1-14(2-5-18)20(24-10-8-23-13-24)17-11-15-3-6-19(26)25-9-7-16(12-17)21(15)25/h1-2,4-5,8,10-13,20H,3,6-7,9H2
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n/an/a 29n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395454
PNG
(CHEMBL2163643)
Show SMILES Fc1cccc(c1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C21H18FN3O/c22-18-3-1-2-14(12-18)20(24-9-7-23-13-24)17-10-15-4-5-19(26)25-8-6-16(11-17)21(15)25/h1-3,7,9-13,20H,4-6,8H2
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n/an/a 29n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395450
PNG
(CHEMBL2163649)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H19N3O/c25-19-7-6-16-12-18(13-17-8-10-24(19)21(16)17)20(23-11-9-22-14-23)15-4-2-1-3-5-15/h1-5,9,11-14,20H,6-8,10H2
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n/an/a 33n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395452
PNG
(CHEMBL2163642)
Show SMILES Fc1ccccc1C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C21H18FN3O/c22-18-4-2-1-3-17(18)21(24-10-8-23-13-24)16-11-14-5-6-19(26)25-9-7-15(12-16)20(14)25/h1-4,8,10-13,21H,5-7,9H2
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n/an/a 40n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395446
PNG
(CHEMBL2163646)
Show SMILES COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C22H21N3O2/c1-27-19-5-2-15(3-6-19)21(24-11-9-23-14-24)18-12-16-4-7-20(26)25-10-8-17(13-18)22(16)25/h2-3,5-6,9,11-14,21H,4,7-8,10H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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n/an/a 41n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental CYP19 using androstenedione substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395446
PNG
(CHEMBL2163646)
Show SMILES COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C22H21N3O2/c1-27-19-5-2-15(3-6-19)21(24-11-9-23-14-24)18-12-16-4-7-20(26)25-10-8-17(13-18)22(16)25/h2-3,5-6,9,11-14,21H,4,7-8,10H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental CYP19 using androstenedione substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395451
PNG
(CHEMBL2163650)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccco1)n1ccnc1
Show InChI InChI=1S/C19H17N3O2/c23-17-4-3-13-10-15(11-14-5-7-22(17)18(13)14)19(16-2-1-9-24-16)21-8-6-20-12-21/h1-2,6,8-12,19H,3-5,7H2
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n/an/a 47n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395450
PNG
(CHEMBL2163649)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H19N3O/c25-19-7-6-16-12-18(13-17-8-10-24(19)21(16)17)20(23-11-9-22-14-23)15-4-2-1-3-5-15/h1-5,9,11-14,20H,6-8,10H2
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n/an/a 50n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395449
PNG
(CHEMBL2163648)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C22H18N4O/c23-13-15-1-3-16(4-2-15)21(25-10-8-24-14-25)19-11-17-5-6-20(27)26-9-7-18(12-19)22(17)26/h1-4,8,10-12,14,21H,5-7,9H2
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n/an/a 70n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23|
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395448
PNG
(CHEMBL2163645)
Show SMILES COc1cccc(c1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C22H21N3O2/c1-27-19-4-2-3-15(13-19)21(24-10-8-23-14-24)18-11-16-5-6-20(26)25-9-7-17(12-18)22(16)25/h2-4,8,10-14,21H,5-7,9H2,1H3
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n/an/a 88n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395447
PNG
(CHEMBL2163641)
Show SMILES C=C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C16H15N3O/c1-11(18-7-5-17-10-18)14-8-12-2-3-15(20)19-6-4-13(9-14)16(12)19/h5,7-10H,1-4,6H2
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n/an/a 100n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395446
PNG
(CHEMBL2163646)
Show SMILES COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C22H21N3O2/c1-27-19-5-2-15(3-6-19)21(24-11-9-23-14-24)18-12-16-4-7-20(26)25-10-8-17(13-18)22(16)25/h2-3,5-6,9,11-14,21H,4,7-8,10H2,1H3
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n/an/a 104n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395448
PNG
(CHEMBL2163645)
Show SMILES COc1cccc(c1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C22H21N3O2/c1-27-19-4-2-3-15(13-19)21(24-10-8-23-14-24)18-11-16-5-6-20(26)25-9-7-17(12-18)22(16)25/h2-4,8,10-14,21H,5-7,9H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395462
PNG
(CHEMBL2163647)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1cccc(c1)C#N)n1ccnc1
Show InChI InChI=1S/C22H18N4O/c23-13-15-2-1-3-16(10-15)21(25-9-7-24-14-25)19-11-17-4-5-20(27)26-8-6-18(12-19)22(17)26/h1-3,7,9-12,14,21H,4-6,8H2
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n/an/a 144n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 228n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental CYP19 using androstenedione substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395462
PNG
(CHEMBL2163647)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1cccc(c1)C#N)n1ccnc1
Show InChI InChI=1S/C22H18N4O/c23-13-15-2-1-3-16(10-15)21(25-9-7-24-14-25)19-11-17-4-5-20(27)26-8-6-18(12-19)22(17)26/h1-3,7,9-12,14,21H,4-6,8H2
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n/an/a 304n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395449
PNG
(CHEMBL2163648)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C22H18N4O/c23-13-15-1-3-16(4-2-15)21(25-10-8-24-14-25)19-11-17-5-6-20(27)26-9-7-18(12-19)22(17)26/h1-4,8,10-12,14,21H,5-7,9H2
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n/an/a 308n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50395461
PNG
(CHEMBL2163652)
Show SMILES CC(c1cc2CCN3c2c(CCC3=O)c1)(n1ccnc1)n1ccnc1
Show InChI InChI=1S/C19H19N5O/c1-19(22-8-5-20-12-22,23-9-6-21-13-23)16-10-14-2-3-17(25)24-7-4-15(11-16)18(14)24/h5-6,8-13H,2-4,7H2,1H3
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n/an/a 438n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50395460
PNG
(CHEMBL2163638)
Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3
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n/an/a>500n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human placental CYP19 using androstenedione substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50395461
PNG
(CHEMBL2163652)
Show SMILES CC(c1cc2CCN3c2c(CCC3=O)c1)(n1ccnc1)n1ccnc1
Show InChI InChI=1S/C19H19N5O/c1-19(22-8-5-20-12-22,23-9-6-21-13-23)16-10-14-2-3-17(25)24-7-4-15(11-16)18(14)24/h5-6,8-13H,2-4,7H2,1H3
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n/an/a 851n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395460
PNG
(CHEMBL2163638)
Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 2.88E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395446
PNG
(CHEMBL2163646)
Show SMILES COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C22H21N3O2/c1-27-19-5-2-15(3-6-19)21(24-11-9-23-14-24)18-12-16-4-7-20(26)25-10-8-17(13-18)22(16)25/h2-3,5-6,9,11-14,21H,4,7-8,10H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50395447
PNG
(CHEMBL2163641)
Show SMILES C=C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
Show InChI InChI=1S/C16H15N3O/c1-11(18-7-5-17-10-18)14-8-12-2-3-15(20)19-6-4-13(9-14)16(12)19/h5,7-10H,1-4,6H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate

J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%