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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50385796   
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))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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n/an/a 0.200n/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))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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n/an/a 0.200n/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))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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n/an/a 3.20n/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))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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n/an/a 3.80E+4n/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 2D6 (2D6)


(Homo sapiens (Human))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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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 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))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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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