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12 similar compounds to monomer 50078640

Compile data set for download or QSAR
Wt: 278.3
BDBM50078639
Wt: 361.4
BDBM50078641
Wt: 414.4
BDBM50078643
Wt: 368.4
BDBM50078644
Wt: 434.2
BDBM50078602
Wt: 322.3
BDBM50078613
Wt: 305.3
BDBM50078615
Wt: 354.4
BDBM50078632
Purchase
Wt: 284.2
BDBM50078619
Wt: 342.3
BDBM50078623
Wt: 330.3
BDBM50078617
Wt: 355.3
BDBM50078631

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50078639,50078641,50078643,50078644,50078602,50078613,50078615,50078632,50078619,50078623,50078617,50078631   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50078639
PNG
(CHEMBL3415181)
Show SMILES Cc1cn(CCn2cncc2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C15H14N6/c1-12-10-21(19-18-12)7-6-20-11-17-9-15(20)14-4-2-13(8-16)3-5-14/h2-5,9-11H,6-7H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50078632
PNG
(CHEMBL3415176)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccccc2)nn1
Show InChI InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50078631
PNG
(CHEMBL3415177)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccncc2)nn1
Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)11-10-26-14-23-19(17-6-8-22-9-7-17)20(26)18-4-2-16(12-21)3-5-18/h2-9,13-14H,10-11H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50078632
PNG
(CHEMBL3415176)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccccc2)nn1
Show InChI InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50078641
PNG
(CHEMBL3415179)
Show SMILES Cc1cn(CCn2cnc(-c3cncs3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C18H15N7S/c1-13-10-25(23-22-13)7-6-24-11-21-17(16-9-20-12-26-16)18(24)15-4-2-14(8-19)3-5-15/h2-5,9-12H,6-7H2,1H3
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n/an/a 5.25E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50078639
PNG
(CHEMBL3415181)
Show SMILES Cc1cn(CCn2cncc2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C15H14N6/c1-12-10-21(19-18-12)7-6-20-11-17-9-15(20)14-4-2-13(8-16)3-5-14/h2-5,9-11H,6-7H2,1H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078643
PNG
(CHEMBL3415383)
Show SMILES CCN[C@H]1CN(CCCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C11H18N4O7S3/c1-2-13-9-7-14(4-3-5-22-15(16)17)25(20,21)11-8(9)6-10(23-11)24(12,18)19/h6,9,13H,2-5,7H2,1H3,(H2,12,18,19)/t9-/s2
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in enzyme activity incubated for 30 mins by fluorescence polarization assay


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078644
PNG
(CHEMBL3415382)
Show SMILES CCN[C@H]1C[C@H](CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C12H20N2O5S3/c1-2-14-10-6-8(4-3-5-15)21(16,17)12-9(10)7-11(20-12)22(13,18)19/h7-8,10,14-15H,2-6H2,1H3,(H2,13,18,19)/t8-,10-/s2
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n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in enzyme activity incubated for 30 mins by fluorescence polarization assay


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078643
PNG
(CHEMBL3415383)
Show SMILES CCN[C@H]1CN(CCCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C11H18N4O7S3/c1-2-13-9-7-14(4-3-5-22-15(16)17)25(20,21)11-8(9)6-10(23-11)24(12,18)19/h6,9,13H,2-5,7H2,1H3,(H2,12,18,19)/t9-/s2
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n/an/an/a 0.0900n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078644
PNG
(CHEMBL3415382)
Show SMILES CCN[C@H]1C[C@H](CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C12H20N2O5S3/c1-2-14-10-6-8(4-3-5-15)21(16,17)12-9(10)7-11(20-12)22(13,18)19/h7-8,10,14-15H,2-6H2,1H3,(H2,13,18,19)/t8-,10-/s2
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n/an/an/a 0.170n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50078602
PNG
(CHEMBL3415148)
Show SMILES Cc1cc(Br)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)cn2ccnc12
Show InChI InChI=1S/C21H16BrN5O/c1-13-9-16(22)10-14(2)19(13)28-21-20-24-7-8-27(20)12-18(26-21)25-17-5-3-15(11-23)4-6-17/h3-10,12,25H,1-2H3
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n/an/a 410n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly(A) x oligo(dT)15 as template/...


Eur J Med Chem 93: 330-7 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.022
BindingDB Entry DOI: 10.7270/Q23N2538
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


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



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


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


(Homo sapiens (Human))
BDBM50078615
PNG
(CHEMBL3415170)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Show InChI InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


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


(Homo sapiens (Human))
BDBM50078617
PNG
(CHEMBL3415172)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15FN4/c1-12-23-24-19-7-6-13-8-15(9-18(21)20(13)25(12)19)17-11-22-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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n/an/a 110n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


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


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


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


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50078619
PNG
(CHEMBL3415174)
Show SMILES Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
Show InChI InChI=1S/C15H10F2N4/c16-12-4-11(6-18-7-12)10-3-9-1-2-14-20-19-8-21(14)15(9)13(17)5-10/h3-8H,1-2H2
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n/an/a 335n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50078617
PNG
(CHEMBL3415172)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15FN4/c1-12-23-24-19-7-6-13-8-15(9-18(21)20(13)25(12)19)17-11-22-10-14-4-2-3-5-16(14)17/h2-5,8-11H,6-7H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50078615
PNG
(CHEMBL3415170)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Show InChI InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50078613
PNG
(CHEMBL3415168)
Show SMILES CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C18H15FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-9H,3-4H2,1-2H3
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n/an/a 88n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50078623
PNG
(CHEMBL3415161)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-17(16-7-4-10-23-13-16)11-15-8-9-19-24-25-21(26(19)20(15)18)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50078623
PNG
(CHEMBL3415161)
Show SMILES Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Show InChI InChI=1S/C21H15FN4/c22-18-12-17(16-7-4-10-23-13-16)11-15-8-9-19-24-25-21(26(19)20(15)18)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase (CYP19)


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



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase (CYP19)


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase (CYP19)


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



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Aromatase (CYP19)


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50078615
PNG
(CHEMBL3415170)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Show InChI InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


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

Curated by ChEMBL


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


J Med Chem 58: 2530-7 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00079
BindingDB Entry DOI: 10.7270/Q20003S5
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50078631
PNG
(CHEMBL3415177)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccncc2)nn1
Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)11-10-26-14-23-19(17-6-8-22-9-7-17)20(26)18-4-2-16(12-21)3-5-18/h2-9,13-14H,10-11H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50078641
PNG
(CHEMBL3415179)
Show SMILES Cc1cn(CCn2cnc(-c3cncs3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C18H15N7S/c1-13-10-25(23-22-13)7-6-24-11-21-17(16-9-20-12-26-16)18(24)15-4-2-14(8-19)3-5-15/h2-5,9-12H,6-7H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair