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Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'boer' and Initial = 'c'   
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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466033
PNG
(CHEMBL4293115)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-6-5-12(24-13)8-1-3-9(21)4-2-8/h1-7,21,23H
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n/an/a 0.320n/an/an/an/an/an/a



PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466018
PNG
(CHEMBL4283851)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H9Cl2F3O3S/c1-26-18-9(19)4-7(5-10(18)20)12-2-3-13(27-12)16(24)8-6-11(21)15(23)17(25)14(8)22/h2-6,25H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466021
PNG
(CHEMBL4295076)
Show SMILES Oc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466032
PNG
(CHEMBL4276934)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2)c1F
Show InChI InChI=1S/C17H9F3O2S/c18-11-8-10(14(19)17(22)15(11)20)16(21)13-7-6-12(23-13)9-4-2-1-3-5-9/h1-8,22H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466019
PNG
(CHEMBL4286251)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239810
PNG
(CHEMBL4093884)
Show SMILES Cc1cncc(Cc2cc(ns2)-c2ccccc2)c1
Show InChI InChI=1S/C16H14N2S/c1-12-7-13(11-17-10-12)8-15-9-16(18-19-15)14-5-3-2-4-6-14/h2-7,9-11H,8H2,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239792
PNG
(CHEMBL4068439)
Show SMILES Cc1cncc(Cc2cc(nn2C)-c2ccccc2)c1
Show InChI InChI=1S/C17H17N3/c1-13-8-14(12-18-11-13)9-16-10-17(19-20(16)2)15-6-4-3-5-7-15/h3-8,10-12H,9H2,1-2H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466012
PNG
(CHEMBL4287575)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466020
PNG
(CHEMBL4293119)
Show SMILES COc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H11F3O3S/c1-24-12-5-3-2-4-9(12)13-6-7-14(25-13)17(22)10-8-11(19)16(21)18(23)15(10)20/h2-8,23H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466034
PNG
(CHEMBL4284771)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,21,23H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466008
PNG
(CHEMBL4290218)
Show SMILES COc1c(C)cc(cc1C)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C20H15F3O3S/c1-9-6-11(7-10(2)20(9)26-3)14-4-5-15(27-14)18(24)12-8-13(21)17(23)19(25)16(12)22/h4-8,25H,1-3H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466019
PNG
(CHEMBL4286251)
Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466027
PNG
(CHEMBL4292910)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]ccc3c2)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-1-2-13-9(7-10)5-6-23-13/h1-8,23,25H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(RAT)		BDBM50318385
PNG
(2-(4-{[(2-{[(3-{[1-(5-{[(1R)-1-{[(4R,7S,10S,13R,16...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C83H115N19O23S3/c1-52(104)67(48-103)91-82(121)69-51-127-126-50-68(81(120)89-65(39-55-22-24-59(106)25-23-55)79(118)90-66(41-57-42-86-62-19-9-8-18-61(57)62)80(119)88-63(20-10-11-26-84)77(116)94-75(53(2)105)83(122)93-69)92-78(117)64(38-54-14-5-3-6-15-54)87-70(107)21-7-4-12-28-102-43-58(95-97-102)49-125-60-17-13-16-56(40-60)76(115)96-128(123,124)37-27-85-71(108)44-98-29-31-99(45-72(109)110)33-35-101(47-74(113)114)36-34-100(32-30-98)46-73(111)112/h3,5-6,8-9,13-19,22-25,40,42-43,52-53,63-69,75,86,103-106H,4,7,10-12,20-21,26-39,41,44-51,84H2,1-2H3,(H,85,108)(H,87,107)(H,88,119)(H,89,120)(H,90,118)(H,91,121)(H,92,117)(H,93,122)(H,94,116)(H,96,115)(H,109,110)(H,111,112)(H,113,114)/t52-,53-,63+,64-,65+,66-,67-,68+,69+,75+/m1/s1
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n/an/a 1.32n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells

J Med Chem 53: 3944-53 (2010)


Article DOI: 10.1021/jm100246m
BindingDB Entry DOI: 10.7270/Q2PG1RX7
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50232146
PNG
(CHEMBL4092593)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F
Show InChI InChI=1S/C17H7F5O2S/c18-7-1-2-8(10(19)5-7)12-3-4-13(25-12)16(23)9-6-11(20)15(22)17(24)14(9)21/h1-6,24H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466012
PNG
(CHEMBL4287575)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466018
PNG
(CHEMBL4283851)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H9Cl2F3O3S/c1-26-18-9(19)4-7(5-10(18)20)12-2-3-13(27-12)16(24)8-6-11(21)15(23)17(25)14(8)22/h2-6,25H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466030
PNG
(CHEMBL4291714)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8ClF3O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466011
PNG
(CHEMBL4283199)
Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H11F3O3S/c1-24-10-4-2-3-9(7-10)13-5-6-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)20/h2-8,23H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466002
PNG
(CHEMBL4285743)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239796
PNG
(CHEMBL4096366)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2cccc(NS(C)(=O)=O)c2)c1
Show InChI InChI=1S/C19H19N3O2S/c1-14-8-16(12-20-11-14)9-15-6-7-19(21-13-15)17-4-3-5-18(10-17)22-25(2,23)24/h3-8,10-13,22H,9H2,1-2H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239802
PNG
(CHEMBL4079408)
Show SMILES Cc1cncc(Cc2ccc(nc2)S(=O)(=O)c2ccccc2F)c1
Show InChI InChI=1S/C18H15FN2O2S/c1-13-8-15(11-20-10-13)9-14-6-7-18(21-12-14)24(22,23)17-5-3-2-4-16(17)19/h2-8,10-12H,9H2,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239789
PNG
(CHEMBL4097298)
Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1
Show InChI InChI=1S/C16H14N2O2/c1-19-15-8-12(10-17-11-15)7-14-9-16(18-20-14)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466031
PNG
(CHEMBL4276985)
Show SMILES Nc1cc(cc(F)c1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8F5NO2S/c18-8-3-6(4-10(23)14(8)21)11-1-2-12(26-11)16(24)7-5-9(19)15(22)17(25)13(7)20/h1-5,25H,23H2
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n/an/a 2.20n/an/an/an/an/an/a



PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466015
PNG
(CHEMBL4291052)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H11F3O3S/c1-24-10-4-2-9(3-5-10)13-6-7-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)20/h2-8,23H,1H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466008
PNG
(CHEMBL4290218)
Show SMILES COc1c(C)cc(cc1C)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C20H15F3O3S/c1-9-6-11(7-10(2)20(9)26-3)14-4-5-15(27-14)18(24)12-8-13(21)17(23)19(25)16(12)22/h4-8,25H,1-3H3
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(RAT)		BDBM50318386
PNG
(2-[7-({[2-({[3,5-bis({[1-(5-{[(1R)-1-{[(4R,7S,10S,...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn4)cc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C141H192N32O36S5/c1-84(176)113(76-174)155-138(202)117-82-212-210-80-115(136(200)151-109(61-90-37-41-97(180)42-38-90)132(196)153-111(65-93-68-145-103-31-17-15-29-101(93)103)134(198)149-105(33-19-21-45-142)128(192)161-125(86(3)178)140(204)159-117)157-130(194)107(59-88-25-9-5-10-26-88)147-119(182)35-13-7-23-48-172-70-95(163-166-172)78-208-99-63-92(127(191)165-214(206,207)58-47-144-121(184)72-168-50-52-169(73-122(185)186)54-56-171(75-124(189)190)57-55-170(53-51-168)74-123(187)188)64-100(67-99)209-79-96-71-173(167-164-96)49-24-8-14-36-120(183)148-108(60-89-27-11-6-12-28-89)131(195)158-116-81-211-213-83-118(139(203)156-114(77-175)85(2)177)160-141(205)126(87(4)179)162-129(193)106(34-20-22-46-143)150-135(199)112(66-94-69-146-104-32-18-16-30-102(94)104)154-133(197)110(152-137(116)201)62-91-39-43-98(181)44-40-91/h5-6,9-12,15-18,25-32,37-44,63-64,67-71,84-87,105-118,125-126,145-146,174-181H,7-8,13-14,19-24,33-36,45-62,65-66,72-83,142-143H2,1-4H3,(H,144,184)(H,147,182)(H,148,183)(H,149,198)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,197)(H,155,202)(H,156,203)(H,157,194)(H,158,195)(H,159,204)(H,160,205)(H,161,192)(H,162,193)(H,165,191)(H,185,186)(H,187,188)(H,189,190)/t84-,85-,86-,87-,105+,106+,107-,108-,109+,110+,111-,112-,113-,114-,115+,116+,117+,118+,125+,126+/m1/s1
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n/an/a 2.45n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells

J Med Chem 53: 3944-53 (2010)


Article DOI: 10.1021/jm100246m
BindingDB Entry DOI: 10.7270/Q2PG1RX7
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(RAT)		BDBM50318388
PNG
((4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2R,3...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(CO)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C58H79N13O13S2/c1-34(74)47(31-73)65-57(83)49-33-86-85-32-48(66-53(79)44(25-36-13-5-3-6-14-36)61-50(77)18-7-4-12-24-71-29-39(30-72)69-70-71)56(82)63-45(26-37-19-21-40(76)22-20-37)54(80)64-46(27-38-28-60-42-16-9-8-15-41(38)42)55(81)62-43(17-10-11-23-59)52(78)68-51(35(2)75)58(84)67-49/h3,5-6,8-9,13-16,19-22,28-29,34-35,43-49,51,60,72-76H,4,7,10-12,17-18,23-27,30-33,59H2,1-2H3,(H,61,77)(H,62,81)(H,63,82)(H,64,80)(H,65,83)(H,66,79)(H,67,84)(H,68,78)/t34-,35-,43+,44-,45+,46-,47-,48+,49+,51+/m1/s1
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n/an/a 2.45n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells

J Med Chem 53: 3944-53 (2010)


Article DOI: 10.1021/jm100246m
BindingDB Entry DOI: 10.7270/Q2PG1RX7
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466030
PNG
(CHEMBL4291714)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8ClF3O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466010
PNG
(CHEMBL4286141)
Show SMILES Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8F4O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239795
PNG
(CHEMBL4067404)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2F)c1
Show InChI InChI=1S/C18H15FN2/c1-13-8-15(11-20-10-13)9-14-6-7-18(21-12-14)16-4-2-3-5-17(16)19/h2-8,10-12H,9H2,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239814
PNG
(CHEMBL4103666)
Show SMILES Cc1cncc(Cc2ccc(Sc3ccccc3F)nc2)c1
Show InChI InChI=1S/C18H15FN2S/c1-13-8-15(11-20-10-13)9-14-6-7-18(21-12-14)22-17-5-3-2-4-16(17)19/h2-8,10-12H,9H2,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
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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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466029
PNG
(CHEMBL4286097)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3cccnc3c2)c1F
Show InChI InChI=1S/C20H10F3NO2S/c21-13-9-12(17(22)20(26)18(13)23)19(25)16-6-5-15(27-16)11-4-3-10-2-1-7-24-14(10)8-11/h1-9,26H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466010
PNG
(CHEMBL4286141)
Show SMILES Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8F4O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466034
PNG
(CHEMBL4284771)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,21,23H
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n/an/a 3.30n/an/an/an/an/an/a



PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466013
PNG
(CHEMBL4277596)
Show SMILES Nc1cc(ccc1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H10F3NO3S/c18-9-6-8(14(19)17(24)15(9)20)16(23)13-4-3-12(25-13)7-1-2-11(22)10(21)5-7/h1-6,22,24H,21H2
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466014
PNG
(CHEMBL4282320)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3cc[nH]c3c2)c1F
Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-2-1-9-5-6-23-13(9)7-10/h1-8,23,25H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239811
PNG
(CHEMBL4078318)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccoc2)c1
Show InChI InChI=1S/C16H14N2O/c1-12-6-14(9-17-8-12)7-13-2-3-16(18-10-13)15-4-5-19-11-15/h2-6,8-11H,7H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466022
PNG
(CHEMBL4279043)
Show SMILES Nc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H10F3NO2S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,23H,21H2
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239799
PNG
(CHEMBL4059931)
Show SMILES Cc1cncc(Cc2ccc(NC3CC3)nc2)c1
Show InChI InChI=1S/C15H17N3/c1-11-6-13(9-16-8-11)7-12-2-5-15(17-10-12)18-14-3-4-14/h2,5-6,8-10,14H,3-4,7H2,1H3,(H,17,18)
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Saarland University

Curated by ChEMBL


Assay Description
The equilibrium dissociation constant of the inhibitor-enzyme complex of human carbonic anhydrase

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466001
PNG
(CHEMBL4278956)
Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C18H11F3O3S/c19-12-7-11(15(20)18(24)16(12)21)17(23)14-5-4-13(25-14)10-3-1-2-9(6-10)8-22/h1-7,22,24H,8H2
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n/an/a 4.40n/an/an/an/an/an/a



PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466006
PNG
(CHEMBL4282780)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C19H12F3NO3S/c1-9(24)23-11-4-2-3-10(7-11)14-5-6-15(27-14)18(25)12-8-13(20)17(22)19(26)16(12)21/h2-8,26H,1H3,(H,23,24)
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n/an/a 4.5n/an/an/an/an/an/a



PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466007
PNG
(CHEMBL4289569)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H7Cl2F3O3S/c18-8-3-6(4-9(19)16(8)24)11-1-2-12(26-11)15(23)7-5-10(20)14(22)17(25)13(7)21/h1-5,24-25H
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n/an/a 4.70n/an/an/an/an/an/a



PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239800
PNG
(CHEMBL4095910)
Show SMILES Cc1cncc(Cc2ccc(Sc3ccccc3)nc2)c1
Show InChI InChI=1S/C18H16N2S/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)21-17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50239790
PNG
(CHEMBL4079276)
Show SMILES Cc1cncc(Cc2cc(no2)-c2ccccc2)c1
Show InChI InChI=1S/C16H14N2O/c1-12-7-13(11-17-10-12)8-15-9-16(18-19-15)14-5-3-2-4-6-14/h2-7,9-11H,8H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis

J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466021
PNG
(CHEMBL4295076)
Show SMILES Oc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))		BDBM50466028
PNG
(CHEMBL4289526)
Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]cnc3c2)c1F
Show InChI InChI=1S/C18H9F3N2O2S/c19-10-6-9(15(20)18(25)16(10)21)17(24)14-4-3-13(26-14)8-1-2-11-12(5-8)23-7-22-11/h1-7,25H,(H,22,23)
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50466031
PNG
(CHEMBL4276985)
Show SMILES Nc1cc(cc(F)c1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F
Show InChI InChI=1S/C17H8F5NO2S/c18-8-3-6(4-10(23)14(8)21)11-1-2-12(26-11)16(24)7-5-9(19)15(22)17(25)13(7)20/h1-5,25H,23H2
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PharmBioTec GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...

J Med Chem 61: 10724-10738 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01373
BindingDB Entry DOI: 10.7270/Q2708448
More data for this
Ligand-Target Pair
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