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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50385789   
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
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385789
PNG
(CHEMBL2041176)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H29N7O3/c1-22-4-3-15-34-27(22)20-37-16-13-32(14-17-37)30(40)38(31(41)39(32)28-18-29(42-2)36-21-35-28)26-11-9-25(10-12-26)24-7-5-23(19-33)6-8-24/h3-12,15,18,21H,13-14,16-17,20H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385789
PNG
(CHEMBL2041176)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H29N7O3/c1-22-4-3-15-34-27(22)20-37-16-13-32(14-17-37)30(40)38(31(41)39(32)28-18-29(42-2)36-21-35-28)26-11-9-25(10-12-26)24-7-5-23(19-33)6-8-24/h3-12,15,18,21H,13-14,16-17,20H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 3


(Homo sapiens (Human))
BDBM50385789
PNG
(CHEMBL2041176)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H29N7O3/c1-22-4-3-15-34-27(22)20-37-16-13-32(14-17-37)30(40)38(31(41)39(32)28-18-29(42-2)36-21-35-28)26-11-9-25(10-12-26)24-7-5-23(19-33)6-8-24/h3-12,15,18,21H,13-14,16-17,20H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD3


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50385789
PNG
(CHEMBL2041176)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H29N7O3/c1-22-4-3-15-34-27(22)20-37-16-13-32(14-17-37)30(40)38(31(41)39(32)28-18-29(42-2)36-21-35-28)26-11-9-25(10-12-26)24-7-5-23(19-33)6-8-24/h3-12,15,18,21H,13-14,16-17,20H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human Erg


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50385789
PNG
(CHEMBL2041176)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H29N7O3/c1-22-4-3-15-34-27(22)20-37-16-13-32(14-17-37)30(40)38(31(41)39(32)28-18-29(42-2)36-21-35-28)26-11-9-25(10-12-26)24-7-5-23(19-33)6-8-24/h3-12,15,18,21H,13-14,16-17,20H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50385789
PNG
(CHEMBL2041176)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H29N7O3/c1-22-4-3-15-34-27(22)20-37-16-13-32(14-17-37)30(40)38(31(41)39(32)28-18-29(42-2)36-21-35-28)26-11-9-25(10-12-26)24-7-5-23(19-33)6-8-24/h3-12,15,18,21H,13-14,16-17,20H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50385789
PNG
(CHEMBL2041176)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H29N7O3/c1-22-4-3-15-34-27(22)20-37-16-13-32(14-17-37)30(40)38(31(41)39(32)28-18-29(42-2)36-21-35-28)26-11-9-25(10-12-26)24-7-5-23(19-33)6-8-24/h3-12,15,18,21H,13-14,16-17,20H2,1-2H3
PDB

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PC cid
PC sid
UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair