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PubMed code 28105288

Compile data set for download or QSAR
Found 32 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))		BDBM50206214
PNG
(CHEMBL3973937)
Show SMILES C[C@](O)(c1cncc(c1)N1CCC2(CCOC2)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C16H21F3N2O2/c1-14(22,16(17,18)19)12-8-13(10-20-9-12)21-5-2-15(3-6-21)4-7-23-11-15/h8-10,22H,2-7,11H2,1H3/t14-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206208
PNG
(CHEMBL3889825)
Show SMILES C1CC2(CO1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H20N2O/c1-2-4-15-14(3-1)11-18-12-16(15)19-8-5-17(6-9-19)7-10-20-13-17/h1-4,11-12H,5-10,13H2
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206206
PNG
(CHEMBL3962968)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc(c1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206212
PNG
(CHEMBL3954239)
Show SMILES CC1(C)CN(C1)c1cncc(n1)N1CCC2(CNC(=O)C2)CC1
Show InChI InChI=1S/C17H25N5O/c1-16(2)11-22(12-16)14-9-18-8-13(20-14)21-5-3-17(4-6-21)7-15(23)19-10-17/h8-9H,3-7,10-12H2,1-2H3,(H,19,23)
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206209
PNG
(CHEMBL3898746)
Show SMILES C1OCC11CCN(CC1)c1cncc2ccccc12
Show InChI InChI=1S/C16H18N2O/c1-2-4-14-13(3-1)9-17-10-15(14)18-7-5-16(6-8-18)11-19-12-16/h1-4,9-10H,5-8,11-12H2
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206204
PNG
(CHEMBL3894033)
Show SMILES CC1(C)CN(C1)c1cncc(n1)N1CCC2(CCC(=O)N2)CC1
Show InChI InChI=1S/C17H25N5O/c1-16(2)11-22(12-16)14-10-18-9-13(19-14)21-7-5-17(6-8-21)4-3-15(23)20-17/h9-10H,3-8,11-12H2,1-2H3,(H,20,23)
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206239
PNG
(CHEMBL3982906)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc(n1)N1CC(C)(C)C1
Show InChI InChI=1S/C18H27N5O/c1-17(2)11-23(12-17)15-10-19-9-14(20-15)22-6-4-18(5-7-22)8-16(24)21(3)13-18/h9-10H,4-8,11-13H2,1-3H3
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206207
PNG
(CHEMBL3916770)
Show SMILES C1CCC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-2-6-16-15(5-1)13-19-14-17(16)20-11-9-18(10-12-20)7-3-4-8-18/h1-2,5-6,13-14H,3-4,7-12H2
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n/an/a 106n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206210
PNG
(CHEMBL3926792)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C18H21N3O/c1-20-13-18(10-17(20)22)6-8-21(9-7-18)16-12-19-11-14-4-2-3-5-15(14)16/h2-5,11-12H,6-10,13H2,1H3
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n/an/a 228n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206214
PNG
(CHEMBL3973937)
Show SMILES C[C@](O)(c1cncc(c1)N1CCC2(CCOC2)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C16H21F3N2O2/c1-14(22,16(17,18)19)12-8-13(10-20-9-12)21-5-2-15(3-6-21)4-7-23-11-15/h8-10,22H,2-7,11H2,1H3/t14-/m0/s1
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n/an/a 355n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206208
PNG
(CHEMBL3889825)
Show SMILES C1CC2(CO1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H20N2O/c1-2-4-15-14(3-1)11-18-12-16(15)19-8-5-17(6-9-19)7-10-20-13-17/h1-4,11-12H,5-10,13H2
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n/an/a 387n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206213
PNG
(CHEMBL3902981)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc(c1)[C@@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m1/s1
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n/an/a 448n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206095
PNG
(CHEMBL3928391)
Show SMILES C1CCC2(CC1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-4-8-19(9-5-1)10-12-21(13-11-19)18-15-20-14-16-6-2-3-7-17(16)18/h2-3,6-7,14-15H,1,4-5,8-13H2
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n/an/a 554n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206238
PNG
(CHEMBL3917839)
Show SMILES C1COC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H20N2O/c1-2-5-15-14(4-1)12-18-13-16(15)19-9-7-17(8-10-19)6-3-11-20-17/h1-2,4-5,12-13H,3,6-11H2
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n/an/a 704n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206238
PNG
(CHEMBL3917839)
Show SMILES C1COC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H20N2O/c1-2-5-15-14(4-1)12-18-13-16(15)19-9-7-17(8-10-19)6-3-11-20-17/h1-2,4-5,12-13H,3,6-11H2
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n/an/a 787n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206205
PNG
(CHEMBL3974912)
Show SMILES CC(=O)N1CCC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C19H23N3O/c1-15(23)22-11-8-19(14-22)6-9-21(10-7-19)18-13-20-12-16-4-2-3-5-17(16)18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206205
PNG
(CHEMBL3974912)
Show SMILES CC(=O)N1CCC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C19H23N3O/c1-15(23)22-11-8-19(14-22)6-9-21(10-7-19)18-13-20-12-16-4-2-3-5-17(16)18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206211
PNG
(CHEMBL3945534)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C22H29N3O2/c1-21(2,3)27-20(26)25-13-10-22(16-25)8-11-24(12-9-22)19-15-23-14-17-6-4-5-7-18(17)19/h4-7,14-15H,8-13,16H2,1-3H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206216
PNG
(CHEMBL3899850)
Show SMILES C1CC2(CN1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H21N3/c1-2-4-15-14(3-1)11-19-12-16(15)20-9-6-17(7-10-20)5-8-18-13-17/h1-4,11-12,18H,5-10,13H2
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n/an/a 1.31E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206206
PNG
(CHEMBL3962968)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc(c1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206095
PNG
(CHEMBL3928391)
Show SMILES C1CCC2(CC1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-4-8-19(9-5-1)10-12-21(13-11-19)18-15-20-14-16-6-2-3-7-17(16)18/h2-3,6-7,14-15H,1,4-5,8-13H2
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n/an/a 1.57E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206209
PNG
(CHEMBL3898746)
Show SMILES C1OCC11CCN(CC1)c1cncc2ccccc12
Show InChI InChI=1S/C16H18N2O/c1-2-4-14-13(3-1)9-17-10-15(14)18-7-5-16(6-8-18)11-19-12-16/h1-4,9-10H,5-8,11-12H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206207
PNG
(CHEMBL3916770)
Show SMILES C1CCC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-2-6-16-15(5-1)13-19-14-17(16)20-11-9-18(10-12-20)7-3-4-8-18/h1-2,5-6,13-14H,3-4,7-12H2
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n/an/a 1.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206212
PNG
(CHEMBL3954239)
Show SMILES CC1(C)CN(C1)c1cncc(n1)N1CCC2(CNC(=O)C2)CC1
Show InChI InChI=1S/C17H25N5O/c1-16(2)11-22(12-16)14-9-18-8-13(20-14)21-5-3-17(4-6-21)7-15(23)19-10-17/h8-9H,3-7,10-12H2,1-2H3,(H,19,23)
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n/an/a 1.74E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206210
PNG
(CHEMBL3926792)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C18H21N3O/c1-20-13-18(10-17(20)22)6-8-21(9-7-18)16-12-19-11-14-4-2-3-5-15(14)16/h2-5,11-12H,6-10,13H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206204
PNG
(CHEMBL3894033)
Show SMILES CC1(C)CN(C1)c1cncc(n1)N1CCC2(CCC(=O)N2)CC1
Show InChI InChI=1S/C17H25N5O/c1-16(2)11-22(12-16)14-10-18-9-13(19-14)21-7-5-17(6-8-21)4-3-15(23)20-17/h9-10H,3-8,11-12H2,1-2H3,(H,20,23)
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n/an/a 2.19E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206239
PNG
(CHEMBL3982906)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc(n1)N1CC(C)(C)C1
Show InChI InChI=1S/C18H27N5O/c1-17(2)11-23(12-17)15-10-19-9-14(20-15)22-6-4-18(5-7-22)8-16(24)21(3)13-18/h9-10H,4-8,11-13H2,1-3H3
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n/an/a 4.46E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206211
PNG
(CHEMBL3945534)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C22H29N3O2/c1-21(2,3)27-20(26)25-13-10-22(16-25)8-11-24(12-9-22)19-15-23-14-17-6-4-5-7-18(17)19/h4-7,14-15H,8-13,16H2,1-3H3
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n/an/a>8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206203
PNG
(CHEMBL3971021)
Show SMILES CN1CCC2(CCN(CC2)c2cncc3ccccc23)C1=O
Show InChI InChI=1S/C18H21N3O/c1-20-9-6-18(17(20)22)7-10-21(11-8-18)16-13-19-12-14-4-2-3-5-15(14)16/h2-5,12-13H,6-11H2,1H3
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n/an/a>8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206203
PNG
(CHEMBL3971021)
Show SMILES CN1CCC2(CCN(CC2)c2cncc3ccccc23)C1=O
Show InChI InChI=1S/C18H21N3O/c1-20-9-6-18(17(20)22)7-10-21(11-8-18)16-13-19-12-14-4-2-3-5-15(14)16/h2-5,12-13H,6-11H2,1H3
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n/an/a>8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50206213
PNG
(CHEMBL3902981)
Show SMILES CN1CC2(CC1=O)CCN(CC2)c1cncc(c1)[C@@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50206216
PNG
(CHEMBL3899850)
Show SMILES C1CC2(CN1)CCN(CC2)c1cncc2ccccc12
Show InChI InChI=1S/C17H21N3/c1-2-4-15-14(3-1)11-19-12-16(15)20-9-6-17(7-10-20)5-8-18-13-17/h1-4,11-12,18H,5-10,13H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

ACS Med Chem Lett 8: 128-132 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00455
BindingDB Entry DOI: 10.7270/Q2BZ682V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%