BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50046031   
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 (CYP11B2)


(Homo sapiens (Human))
BDBM50092190
PNG
(CHEMBL3582482)
Show SMILES Cc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1C
Show InChI InChI=1S/C17H15F2N3/c1-9-7-20-8-12(10(9)2)17-21-15-5-13(18)14(19)6-16(15)22(17)11-3-4-11/h5-8,11H,3-4H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092142
PNG
(CHEMBL3582477)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092182
PNG
(CHEMBL3582470)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl
Show InChI InChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092185
PNG
(CHEMBL3582474)
Show SMILES COc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H13F2N3O/c1-22-11-4-9(7-19-8-11)16-20-14-5-12(17)13(18)6-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092137
PNG
(CHEMBL3582481)
Show SMILES Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092183
PNG
(CHEMBL3582471)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1C#N
Show InChI InChI=1S/C16H11FN4/c17-13-7-14-15(6-11(13)8-18)21(12-3-4-12)16(20-14)10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092191
PNG
(CHEMBL3582483)
Show SMILES COc1c(C)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H15F2N3O/c1-9-7-20-8-11(16(9)23-2)17-21-14-5-12(18)13(19)6-15(14)22(17)10-3-4-10/h5-8,10H,3-4H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092186
PNG
(CHEMBL3582475)
Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(Cl)cc2n1C1CC1
Show InChI InChI=1S/C15H10ClF2N3/c16-11-4-14-13(5-12(11)18)20-15(21(14)10-1-2-10)8-3-9(17)7-19-6-8/h3-7,10H,1-2H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092187
PNG
(CHEMBL3582476)
Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(cc2n1C1CC1)C#N
Show InChI InChI=1S/C16H10F2N4/c17-11-3-10(7-20-8-11)16-21-14-5-13(18)9(6-19)4-15(14)22(16)12-1-2-12/h3-5,7-8,12H,1-2H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092179
PNG
(CHEMBL3582467)
Show SMILES N#Cc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C16H12N4/c17-9-11-3-6-14-15(8-11)20(13-4-5-13)16(19-14)12-2-1-7-18-10-12/h1-3,6-8,10,13H,4-5H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092181
PNG
(CHEMBL3582469)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C15H11F2N3/c16-11-6-13-14(7-12(11)17)20(10-3-4-10)15(19-13)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092177
PNG
(CHEMBL3582465)
Show SMILES Clc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C15H12ClN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092153
PNG
(CHEMBL3582478)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1
Show InChI InChI=1S/C43H54N6O6/c1-5-28(4)39-42(53)44-22-11-23-55-32-19-16-30(17-20-32)25-36(41(52)49-39)45-26-37(50)35(24-29-12-7-6-8-13-29)47-43(54)38(27(2)3)48-40(51)34-21-18-31-14-9-10-15-33(31)46-34/h6-10,12-21,27-28,35-39,45,50H,5,11,22-26H2,1-4H3,(H,44,53)(H,47,54)(H,48,51)(H,49,52)/t28?,35-,36-,37+,38-,39-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092192
PNG
(CHEMBL3582451)
Show SMILES Fc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C15H12FN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092139
PNG
(CHEMBL3582472)
Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H10F3N3/c16-9-3-8(6-19-7-9)15-20-13-4-11(17)12(18)5-14(13)21(15)10-1-2-10/h3-7,10H,1-2H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092189
PNG
(CHEMBL3582480)
Show SMILES Fc1cc2nc(-c3cnccc3C(F)(F)F)n(C3CC3)c2cc1F
Show InChI InChI=1S/C16H10F5N3/c17-11-5-13-14(6-12(11)18)24(8-1-2-8)15(23-13)9-7-22-4-3-10(9)16(19,20)21/h3-8H,1-2H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092188
PNG
(CHEMBL3582479)
Show SMILES Cc1ccncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H13F2N3/c1-9-4-5-19-8-11(9)16-20-14-6-12(17)13(18)7-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092196
PNG
(CHEMBL3582447)
Show SMILES Cn1c(nc2ccc(F)cc12)-c1cccnc1
Show InChI InChI=1S/C13H10FN3/c1-17-12-7-10(14)4-5-11(12)16-13(17)9-3-2-6-15-8-9/h2-8H,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092156
PNG
(CHEMBL3582452)
Show SMILES CC1(CC1)n1c(nc2ccc(F)cc12)-c1cccnc1
Show InChI InChI=1S/C34H41N3O4/c1-34(19-26-20-35-30-10-6-5-9-28(26)30,33(41)36-27(17-32(39)40)16-21-7-3-2-4-8-21)37-31(38)18-29-24-12-22-11-23(14-24)15-25(29)13-22/h2-10,20,22-25,27,29,35H,11-19H2,1H3,(H,36,41)(H,37,38)(H,39,40)/t22?,23?,24?,25?,27-,29?,34+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092190
PNG
(CHEMBL3582482)
Show SMILES Cc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1C
Show InChI InChI=1S/C17H15F2N3/c1-9-7-20-8-12(10(9)2)17-21-15-5-13(18)14(19)6-16(15)22(17)11-3-4-11/h5-8,11H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092184
PNG
(CHEMBL3582473)
Show SMILES Fc1cc2nc(-c3cncc(c3)C#N)n(C3CC3)c2cc1F
Show InChI InChI=1S/C16H10F2N4/c17-12-4-14-15(5-13(12)18)22(11-1-2-11)16(21-14)10-3-9(6-19)7-20-8-10/h3-5,7-8,11H,1-2H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092180
PNG
(CHEMBL3582468)
Show SMILES COc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C16H15N3O/c1-20-13-6-7-14-15(9-13)19(12-4-5-12)16(18-14)11-3-2-8-17-10-11/h2-3,6-10,12H,4-5H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092165
PNG
(CHEMBL3582459)
Show SMILES Fc1ccc2n(C3CC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C15H12FN3/c16-11-3-6-14-13(8-11)18-15(19(14)12-4-5-12)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092194
PNG
(CHEMBL3582449)
Show SMILES CCn1c(nc2ccc(F)cc12)-c1cccnc1
Show InChI InChI=1S/C14H12FN3/c1-2-18-13-8-11(15)5-6-12(13)17-14(18)10-4-3-7-16-9-10/h3-9H,2H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092142
PNG
(CHEMBL3582477)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092163
PNG
(CHEMBL3582457)
Show SMILES C1CC1n1c(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C15H13N3/c1-2-6-14-13(5-1)17-15(18(14)12-7-8-12)11-4-3-9-16-10-11/h1-6,9-10,12H,7-8H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092166
PNG
(CHEMBL3582460)
Show SMILES Fc1cccc2nc(-c3cccnc3)n(C3CC3)c12
Show InChI InChI=1S/C15H12FN3/c16-12-4-1-5-13-14(12)19(11-6-7-11)15(18-13)10-3-2-8-17-9-10/h1-5,8-9,11H,6-7H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092183
PNG
(CHEMBL3582471)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1C#N
Show InChI InChI=1S/C16H11FN4/c17-13-7-14-15(6-11(13)8-18)21(12-3-4-12)16(20-14)10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092193
PNG
(CHEMBL3582450)
Show SMILES CC(C)n1c(nc2ccc(F)cc12)-c1cccnc1
Show InChI InChI=1S/C15H14FN3/c1-10(2)19-14-8-12(16)5-6-13(14)18-15(19)11-4-3-7-17-9-11/h3-10H,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092153
PNG
(CHEMBL3582478)
Show SMILES CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1
Show InChI InChI=1S/C43H54N6O6/c1-5-28(4)39-42(53)44-22-11-23-55-32-19-16-30(17-20-32)25-36(41(52)49-39)45-26-37(50)35(24-29-12-7-6-8-13-29)47-43(54)38(27(2)3)48-40(51)34-21-18-31-14-9-10-15-33(31)46-34/h6-10,12-21,27-28,35-39,45,50H,5,11,22-26H2,1-4H3,(H,44,53)(H,47,54)(H,48,51)(H,49,52)/t28?,35-,36-,37+,38-,39-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 142n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092164
PNG
(CHEMBL3582458)
Show SMILES Fc1cccc2n(C3CC3)c(nc12)-c1cccnc1
Show InChI InChI=1S/C15H12FN3/c16-12-4-1-5-13-14(12)18-15(19(13)11-6-7-11)10-3-2-8-17-9-10/h1-5,8-9,11H,6-7H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 219n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092187
PNG
(CHEMBL3582476)
Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(cc2n1C1CC1)C#N
Show InChI InChI=1S/C16H10F2N4/c17-11-3-10(7-20-8-11)16-21-14-5-13(18)9(6-19)4-15(14)22(16)12-1-2-12/h3-5,7-8,12H,1-2H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 225n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092185
PNG
(CHEMBL3582474)
Show SMILES COc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H13F2N3O/c1-22-11-4-9(7-19-8-11)16-20-14-5-12(17)13(18)6-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092186
PNG
(CHEMBL3582475)
Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(Cl)cc2n1C1CC1
Show InChI InChI=1S/C15H10ClF2N3/c16-11-4-14-13(5-12(11)18)20-15(21(14)10-1-2-10)8-3-9(17)7-19-6-8/h3-7,10H,1-2H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092178
PNG
(CHEMBL3582466)
Show SMILES FC(F)(F)c1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C16H12F3N3/c17-16(18,19)11-3-6-13-14(8-11)22(12-4-5-12)15(21-13)10-2-1-7-20-9-10/h1-3,6-9,12H,4-5H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 254n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092137
PNG
(CHEMBL3582481)
Show SMILES Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 258n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092182
PNG
(CHEMBL3582470)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl
Show InChI InChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 334n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092181
PNG
(CHEMBL3582469)
Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1F
Show InChI InChI=1S/C15H11F2N3/c16-11-6-13-14(7-12(11)17)20(10-3-4-10)15(19-13)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092179
PNG
(CHEMBL3582467)
Show SMILES N#Cc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C16H12N4/c17-9-11-3-6-14-15(8-11)20(13-4-5-13)16(19-14)12-2-1-7-18-10-12/h1-3,6-8,10,13H,4-5H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 374n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092192
PNG
(CHEMBL3582451)
Show SMILES Fc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C15H12FN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 401n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092191
PNG
(CHEMBL3582483)
Show SMILES COc1c(C)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C17H15F2N3O/c1-9-7-20-8-11(16(9)23-2)17-21-14-5-12(18)13(19)6-15(14)22(17)10-3-4-10/h5-8,10H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 435n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092139
PNG
(CHEMBL3582472)
Show SMILES Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C15H10F3N3/c16-9-3-8(6-19-7-9)15-20-13-4-11(17)12(18)5-14(13)21(15)10-1-2-10/h3-7,10H,1-2H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 435n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092177
PNG
(CHEMBL3582465)
Show SMILES Clc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
Show InChI InChI=1S/C15H12ClN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 477n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092161
PNG
(CHEMBL3582455)
Show SMILES Fc1ccc2nc(-c3cccnc3)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C14H9F4N3/c15-10-3-4-11-12(6-10)21(8-14(16,17)18)13(20-11)9-2-1-5-19-7-9/h1-7H,8H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 561n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092162
PNG
(CHEMBL3582456)
Show SMILES Fc1ccc2nc(-c3cccnc3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H14FN3/c20-16-8-9-17-18(11-16)23(13-14-5-2-1-3-6-14)19(22-17)15-7-4-10-21-12-15/h1-12H,13H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 607n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092196
PNG
(CHEMBL3582447)
Show SMILES Cn1c(nc2ccc(F)cc12)-c1cccnc1
Show InChI InChI=1S/C13H10FN3/c1-17-12-7-10(14)4-5-11(12)16-13(17)9-3-2-6-15-8-9/h2-8H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 677n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092188
PNG
(CHEMBL3582479)
Show SMILES Cc1ccncc1-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C16H13F2N3/c1-9-4-5-19-8-11(9)16-20-14-6-12(17)13(18)7-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 723n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50092189
PNG
(CHEMBL3582480)
Show SMILES Fc1cc2nc(-c3cnccc3C(F)(F)F)n(C3CC3)c2cc1F
Show InChI InChI=1S/C16H10F5N3/c17-11-5-13-14(6-12(11)18)24(8-1-2-8)15(23-13)9-7-22-4-3-10(9)16(19,20)21/h3-8H,1-2H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 795n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092175
PNG
(CHEMBL3582464)
Show SMILES CS(=O)(=O)c1ccc2n(C3CC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O2S/c1-22(20,21)13-6-7-15-14(9-13)18-16(19(15)12-4-5-12)11-3-2-8-17-10-11/h2-3,6-10,12H,4-5H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50092168
PNG
(CHEMBL3582462)
Show SMILES COc1ccc2n(C3CC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O/c1-20-13-6-7-15-14(9-13)18-16(19(15)12-4-5-12)11-3-2-8-17-10-11/h2-3,6-10,12H,4-5H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 92 total )  |  Next  |  Last  >>
Jump to: