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PubMed code 25711516

Compile data set for download or QSAR
Found 118 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 11B2, 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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n/an/a 0.200n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(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 0.800n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078617
PNG
(CHEMBL3415172)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15FN4/c1-12-23-24-19-7-6-13-8-15(9-18(21)20(13)25(12)19)17-11-22-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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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 CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
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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n/an/a 2.90n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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 6.30n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078616
PNG
(CHEMBL3415171)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17FN4/c1-14-25-26-21-8-7-16-9-17(11-20(23)22(16)27(14)21)19-10-18(12-24-13-19)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
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n/an/a 7.10n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078618
PNG
(CHEMBL3415173 | US9278093, 2)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3
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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 CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078611
PNG
(CHEMBL3415166)
Show SMILES COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3
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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 CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078612
PNG
(CHEMBL3415167)
Show SMILES CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3
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n/an/a 28n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078620
PNG
(CHEMBL3415175)
Show SMILES Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-12(6-19-7-14(9)18)11-4-10-2-3-15-21-20-8-22(15)16(10)13(17)5-11/h4-8H,2-3H2,1H3
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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 CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078614
PNG
(CHEMBL3415169)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N4/c1-9-23-24-15-3-2-10-4-11(6-14(18)16(10)25(9)15)12-5-13(8-22-7-12)17(19,20)21/h4-8H,2-3H2,1H3
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n/an/a 57n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078629
PNG
(CHEMBL3415155)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-15-5-4-11-7-13(12-3-2-6-18-9-12)8-14(17)16(11)21(10)15/h2-3,6-9H,4-5H2,1H3
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n/an/a 63n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078613
PNG
(CHEMBL3415168)
Show SMILES CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H15FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-9H,3-4H2,1-2H3
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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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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n/an/a 90n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078617
PNG
(CHEMBL3415172)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15FN4/c1-12-23-24-19-7-6-13-8-15(9-18(21)20(13)25(12)19)17-11-22-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078606
PNG
(CHEMBL3415154)
Show SMILES Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-16-5-4-11-7-13(12-3-2-6-18-9-12)14(17)8-15(11)21(10)16/h2-3,6-9H,4-5H2,1H3
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n/an/a 131n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078607
PNG
(CHEMBL3415153)
Show SMILES Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-12(11-2-1-5-17-8-11)6-10-3-4-14-19-18-9-20(14)15(10)13/h1-2,5-9H,3-4H2
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n/an/a 172n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078608
PNG
(CHEMBL3415152)
Show SMILES Fc1cc-2c(CCc3nncn-23)cc1-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-14-10(3-4-15-19-18-9-20(14)15)6-12(13)11-2-1-5-17-8-11/h1-2,5-9H,3-4H2
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n/an/a 244n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078619
PNG
(CHEMBL3415174)
Show SMILES Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C15H10F2N4/c16-12-4-11(6-18-7-12)10-3-9-1-2-14-20-19-8-21(14)15(9)13(17)5-10/h3-8H,1-2H2
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n/an/a 335n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078616
PNG
(CHEMBL3415171)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17FN4/c1-14-25-26-21-8-7-16-9-17(11-20(23)22(16)27(14)21)19-10-18(12-24-13-19)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
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n/an/a 428n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078627
PNG
(CHEMBL3415157)
Show SMILES CCc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-15-20-21-16-6-5-11-8-13(12-4-3-7-19-10-12)9-14(18)17(11)22(15)16/h3-4,7-10H,2,5-6H2,1H3
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n/an/a 542n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078621
PNG
(CHEMBL3415163)
Show SMILES Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C22H15FN4O/c23-18-12-17(16-7-4-10-24-13-16)11-15-8-9-19-25-26-22(27(19)20(15)18)21(28)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a 708n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078628
PNG
(CHEMBL3415156)
Show SMILES CCc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-16-20-21-17-6-5-11-8-13(12-4-3-7-19-10-12)14(18)9-15(11)22(16)17/h3-4,7-10H,2,5-6H2,1H3
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n/an/a 979n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078615
PNG
(CHEMBL3415170)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Show InChI InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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n/an/a 1.18E+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 CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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n/an/a 1.77E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078611
PNG
(CHEMBL3415166)
Show SMILES COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3
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n/an/a 1.81E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078614
PNG
(CHEMBL3415169)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N4/c1-9-23-24-15-3-2-10-4-11(6-14(18)16(10)25(9)15)12-5-13(8-22-7-12)17(19,20)21/h4-8H,2-3H2,1H3
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n/an/a 3.57E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078612
PNG
(CHEMBL3415167)
Show SMILES CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3
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n/an/a 3.91E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078622
PNG
(CHEMBL3415162)
Show SMILES Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C22H17FN4/c23-19-13-20-16(12-18(19)17-7-4-10-24-14-17)8-9-21-25-26-22(27(20)21)11-15-5-2-1-3-6-15/h1-7,10,12-14H,8-9,11H2
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n/an/a 4.35E+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 CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078618
PNG
(CHEMBL3415173 | US9278093, 2)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3
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n/an/a 4.52E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078620
PNG
(CHEMBL3415175)
Show SMILES Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-12(6-19-7-14(9)18)11-4-10-2-3-15-21-20-8-22(15)16(10)13(17)5-11/h4-8H,2-3H2,1H3
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n/an/a 5.71E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078613
PNG
(CHEMBL3415168)
Show SMILES CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H15FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-9H,3-4H2,1-2H3
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n/an/a 6.97E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078608
PNG
(CHEMBL3415152)
Show SMILES Fc1cc-2c(CCc3nncn-23)cc1-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-14-10(3-4-15-19-18-9-20(14)15)6-12(13)11-2-1-5-17-8-11/h1-2,5-9H,3-4H2
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n/an/a 7.90E+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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078624
PNG
(CHEMBL3415160)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-19-15(11-17(18)16-7-4-10-23-13-16)8-9-20-24-25-21(26(19)20)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a>1.00E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078626
PNG
(CHEMBL3415158)
Show SMILES CC(C)c1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-17-6-5-12-8-14(13-4-3-7-20-10-13)15(19)9-16(12)23(17)18/h3-4,7-11H,5-6H2,1-2H3
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n/an/a>1.00E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078610
PNG
(CHEMBL3415165)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-16(15-2-1-7-23-12-15)10-14-3-4-18-24-25-20(26(18)19(14)17)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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n/an/a>1.00E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078624
PNG
(CHEMBL3415160)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-19-15(11-17(18)16-7-4-10-23-13-16)8-9-20-24-25-21(26(19)20)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a>1.00E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078622
PNG
(CHEMBL3415162)
Show SMILES Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C22H17FN4/c23-19-13-20-16(12-18(19)17-7-4-10-24-14-17)8-9-21-25-26-22(27(20)21)11-15-5-2-1-3-6-15/h1-7,10,12-14H,8-9,11H2
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n/an/a>1.00E+4n/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 coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078621
PNG
(CHEMBL3415163)
Show SMILES Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C22H15FN4O/c23-18-12-17(16-7-4-10-24-13-16)11-15-8-9-19-25-26-22(27(19)20(15)18)21(28)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a>1.00E+4n/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 coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078610
PNG
(CHEMBL3415165)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-16(15-2-1-7-23-12-15)10-14-3-4-18-24-25-20(26(18)19(14)17)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078611
PNG
(CHEMBL3415166)
Show SMILES COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078629
PNG
(CHEMBL3415155)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-15-5-4-11-7-13(12-3-2-6-18-9-12)8-14(17)16(11)21(10)15/h2-3,6-9H,4-5H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078624
PNG
(CHEMBL3415160)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-19-15(11-17(18)16-7-4-10-23-13-16)8-9-20-24-25-21(26(19)20)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078621
PNG
(CHEMBL3415163)
Show SMILES Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C22H15FN4O/c23-18-12-17(16-7-4-10-24-13-16)11-15-8-9-19-25-26-22(27(19)20(15)18)21(28)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078625
PNG
(CHEMBL3415159)
Show SMILES CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-16-6-5-12-8-14(13-4-3-7-20-10-13)9-15(19)17(12)23(16)18/h3-4,7-11H,5-6H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078610
PNG
(CHEMBL3415165)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-16(15-2-1-7-23-12-15)10-14-3-4-18-24-25-20(26(18)19(14)17)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078622
PNG
(CHEMBL3415162)
Show SMILES Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C22H17FN4/c23-19-13-20-16(12-18(19)17-7-4-10-24-14-17)8-9-21-25-26-22(27(20)21)11-15-5-2-1-3-6-15/h1-7,10,12-14H,8-9,11H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078623
PNG
(CHEMBL3415161)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-17(16-7-4-10-23-13-16)11-15-8-9-19-24-25-21(26(19)20(15)18)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078608
PNG
(CHEMBL3415152)
Show SMILES Fc1cc-2c(CCc3nncn-23)cc1-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-14-10(3-4-15-19-18-9-20(14)15)6-12(13)11-2-1-5-17-8-11/h1-2,5-9H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078607
PNG
(CHEMBL3415153)
Show SMILES Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-12(11-2-1-5-17-8-11)6-10-3-4-14-19-18-9-20(14)15(10)13/h1-2,5-9H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078626
PNG
(CHEMBL3415158)
Show SMILES CC(C)c1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-17-6-5-12-8-14(13-4-3-7-20-10-13)15(19)9-16(12)23(17)18/h3-4,7-11H,5-6H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078613
PNG
(CHEMBL3415168)
Show SMILES CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H15FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-9H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078614
PNG
(CHEMBL3415169)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N4/c1-9-23-24-15-3-2-10-4-11(6-14(18)16(10)25(9)15)12-5-13(8-22-7-12)17(19,20)21/h4-8H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078620
PNG
(CHEMBL3415175)
Show SMILES Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-12(6-19-7-14(9)18)11-4-10-2-3-15-21-20-8-22(15)16(10)13(17)5-11/h4-8H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078624
PNG
(CHEMBL3415160)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-19-15(11-17(18)16-7-4-10-23-13-16)8-9-20-24-25-21(26(19)20)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078616
PNG
(CHEMBL3415171)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17FN4/c1-14-25-26-21-8-7-16-9-17(11-20(23)22(16)27(14)21)19-10-18(12-24-13-19)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078628
PNG
(CHEMBL3415156)
Show SMILES CCc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-16-20-21-17-6-5-11-8-13(12-4-3-7-19-10-12)14(18)9-15(11)22(16)17/h3-4,7-10H,2,5-6H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078627
PNG
(CHEMBL3415157)
Show SMILES CCc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-15-20-21-16-6-5-11-8-13(12-4-3-7-19-10-12)9-14(18)17(11)22(15)16/h3-4,7-10H,2,5-6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078617
PNG
(CHEMBL3415172)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15FN4/c1-12-23-24-19-7-6-13-8-15(9-18(21)20(13)25(12)19)17-11-22-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078608
PNG
(CHEMBL3415152)
Show SMILES Fc1cc-2c(CCc3nncn-23)cc1-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-14-10(3-4-15-19-18-9-20(14)15)6-12(13)11-2-1-5-17-8-11/h1-2,5-9H,3-4H2
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n/an/a>1.00E+4n/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 coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078626
PNG
(CHEMBL3415158)
Show SMILES CC(C)c1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-17-6-5-12-8-14(13-4-3-7-20-10-13)15(19)9-16(12)23(17)18/h3-4,7-11H,5-6H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078614
PNG
(CHEMBL3415169)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N4/c1-9-23-24-15-3-2-10-4-11(6-14(18)16(10)25(9)15)12-5-13(8-22-7-12)17(19,20)21/h4-8H,2-3H2,1H3
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n/an/a>1.00E+4n/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 coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078615
PNG
(CHEMBL3415170)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Show InChI InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078623
PNG
(CHEMBL3415161)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-17(16-7-4-10-23-13-16)11-15-8-9-19-24-25-21(26(19)20(15)18)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a>1.00E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078625
PNG
(CHEMBL3415159)
Show SMILES CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-16-6-5-12-8-14(13-4-3-7-20-10-13)9-15(19)17(12)23(16)18/h3-4,7-11H,5-6H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078627
PNG
(CHEMBL3415157)
Show SMILES CCc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-15-20-21-16-6-5-11-8-13(12-4-3-7-19-10-12)9-14(18)17(11)22(15)16/h3-4,7-10H,2,5-6H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078628
PNG
(CHEMBL3415156)
Show SMILES CCc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-16-20-21-17-6-5-11-8-13(12-4-3-7-19-10-12)14(18)9-15(11)22(16)17/h3-4,7-10H,2,5-6H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078606
PNG
(CHEMBL3415154)
Show SMILES Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-16-5-4-11-7-13(12-3-2-6-18-9-12)14(17)8-15(11)21(10)16/h2-3,6-9H,4-5H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078623
PNG
(CHEMBL3415161)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-17(16-7-4-10-23-13-16)11-15-8-9-19-24-25-21(26(19)20(15)18)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078622
PNG
(CHEMBL3415162)
Show SMILES Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C22H17FN4/c23-19-13-20-16(12-18(19)17-7-4-10-24-14-17)8-9-21-25-26-22(27(20)21)11-15-5-2-1-3-6-15/h1-7,10,12-14H,8-9,11H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078611
PNG
(CHEMBL3415166)
Show SMILES COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078616
PNG
(CHEMBL3415171)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17FN4/c1-14-25-26-21-8-7-16-9-17(11-20(23)22(16)27(14)21)19-10-18(12-24-13-19)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078618
PNG
(CHEMBL3415173 | US9278093, 2)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078606
PNG
(CHEMBL3415154)
Show SMILES Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-16-5-4-11-7-13(12-3-2-6-18-9-12)14(17)8-15(11)21(10)16/h2-3,6-9H,4-5H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078618
PNG
(CHEMBL3415173 | US9278093, 2)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078609
PNG
(CHEMBL3415164)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-18-14(10-16(17)15-2-1-7-23-12-15)3-4-19-24-25-20(26(18)19)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078625
PNG
(CHEMBL3415159)
Show SMILES CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-16-6-5-12-8-14(13-4-3-7-20-10-13)9-15(19)17(12)23(16)18/h3-4,7-11H,5-6H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078609
PNG
(CHEMBL3415164)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-18-14(10-16(17)15-2-1-7-23-12-15)3-4-19-24-25-20(26(18)19)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078612
PNG
(CHEMBL3415167)
Show SMILES CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078615
PNG
(CHEMBL3415170)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Show InChI InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078607
PNG
(CHEMBL3415153)
Show SMILES Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-12(11-2-1-5-17-8-11)6-10-3-4-14-19-18-9-20(14)15(10)13/h1-2,5-9H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078629
PNG
(CHEMBL3415155)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-15-5-4-11-7-13(12-3-2-6-18-9-12)8-14(17)16(11)21(10)15/h2-3,6-9H,4-5H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078627
PNG
(CHEMBL3415157)
Show SMILES CCc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-15-20-21-16-6-5-11-8-13(12-4-3-7-19-10-12)9-14(18)17(11)22(15)16/h3-4,7-10H,2,5-6H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078615
PNG
(CHEMBL3415170)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Show InChI InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078617
PNG
(CHEMBL3415172)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15FN4/c1-12-23-24-19-7-6-13-8-15(9-18(21)20(13)25(12)19)17-11-22-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078619
PNG
(CHEMBL3415174)
Show SMILES Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C15H10F2N4/c16-12-4-11(6-18-7-12)10-3-9-1-2-14-20-19-8-21(14)15(9)13(17)5-10/h3-8H,1-2H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078626
PNG
(CHEMBL3415158)
Show SMILES CC(C)c1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-17-6-5-12-8-14(13-4-3-7-20-10-13)15(19)9-16(12)23(17)18/h3-4,7-11H,5-6H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078610
PNG
(CHEMBL3415165)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-16(15-2-1-7-23-12-15)10-14-3-4-18-24-25-20(26(18)19(14)17)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078619
PNG
(CHEMBL3415174)
Show SMILES Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C15H10F2N4/c16-12-4-11(6-18-7-12)10-3-9-1-2-14-20-19-8-21(14)15(9)13(17)5-10/h3-8H,1-2H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078623
PNG
(CHEMBL3415161)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-17(16-7-4-10-23-13-16)11-15-8-9-19-24-25-21(26(19)20(15)18)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078609
PNG
(CHEMBL3415164)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-18-14(10-16(17)15-2-1-7-23-12-15)3-4-19-24-25-20(26(18)19)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078612
PNG
(CHEMBL3415167)
Show SMILES CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078620
PNG
(CHEMBL3415175)
Show SMILES Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-12(6-19-7-14(9)18)11-4-10-2-3-15-21-20-8-22(15)16(10)13(17)5-11/h4-8H,2-3H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078619
PNG
(CHEMBL3415174)
Show SMILES Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C15H10F2N4/c16-12-4-11(6-18-7-12)10-3-9-1-2-14-20-19-8-21(14)15(9)13(17)5-10/h3-8H,1-2H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078621
PNG
(CHEMBL3415163)
Show SMILES Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C22H15FN4O/c23-18-12-17(16-7-4-10-24-13-16)11-15-8-9-19-25-26-22(27(19)20(15)18)21(28)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a>1.00E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50078609
PNG
(CHEMBL3415164)
Show SMILES Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
Show InChI InChI=1S/C20H14FN5/c21-17-11-18-14(10-16(17)15-2-1-7-23-12-15)3-4-19-24-25-20(26(18)19)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
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n/an/a>1.00E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50078625
PNG
(CHEMBL3415159)
Show SMILES CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C18H17FN4/c1-11(2)18-22-21-16-6-5-12-8-14(13-4-3-7-20-10-13)9-15(19)17(12)23(16)18/h3-4,7-11H,5-6H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078628
PNG
(CHEMBL3415156)
Show SMILES CCc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C17H15FN4/c1-2-16-20-21-17-6-5-11-8-13(12-4-3-7-19-10-12)14(18)9-15(11)22(16)17/h3-4,7-10H,2,5-6H2,1H3
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n/an/a>1.00E+4n/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 coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50078613
PNG
(CHEMBL3415168)
Show SMILES CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H15FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-9H,3-4H2,1-2H3
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n/an/a>1.00E+4n/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 coexpressing human CYP17 and NADPH-P450 reductase

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078606
PNG
(CHEMBL3415154)
Show SMILES Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-16-5-4-11-7-13(12-3-2-6-18-9-12)14(17)8-15(11)21(10)16/h2-3,6-9H,4-5H2,1H3
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n/an/a 1.26E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078607
PNG
(CHEMBL3415153)
Show SMILES Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
Show InChI InChI=1S/C15H11FN4/c16-13-7-12(11-2-1-5-17-8-11)6-10-3-4-14-19-18-9-20(14)15(10)13/h1-2,5-9H,3-4H2
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n/an/a 1.61E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50078629
PNG
(CHEMBL3415155)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Show InChI InChI=1S/C16H13FN4/c1-10-19-20-15-5-4-11-7-13(12-3-2-6-18-9-12)8-14(17)16(11)21(10)15/h2-3,6-9H,4-5H2,1H3
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n/an/a 1.70E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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n/an/a 2.95E+4n/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 V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 using diclofenac substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using midazolam substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using midazolam substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 using diclofenac substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 using bufuralol substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 using phenacetin substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 using smephenytoin substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 using smephenytoin substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 using phenacetin substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50044143
PNG
(CHEMBL3313969)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Show InChI InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 using bufuralol substrate by LC-MS/MS method

J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%