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BDBM50385810 CHEMBL2043008

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccc(=O)[nH]n1

InChI Key: InChIKey=QIGQORKIIZXLEM-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50385810   
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
Egl nine homolog 3


(Homo sapiens (Human))
BDBM50385810
PNG
(CHEMBL2043008)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-17-31-25(21)20-34-18-15-30(16-19-34)28(38)35(29(39)36(30)26-13-14-27(37)33-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-14,17H,15-16,18-20H2,1H3,(H,33,37)
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PC cid
PC sid
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PubMed
n/an/a 59n/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
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50385810
PNG
(CHEMBL2043008)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-17-31-25(21)20-34-18-15-30(16-19-34)28(38)35(29(39)36(30)26-13-14-27(37)33-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-14,17H,15-16,18-20H2,1H3,(H,33,37)
PDB

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PXR


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385810
PNG
(CHEMBL2043008)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-17-31-25(21)20-34-18-15-30(16-19-34)28(38)35(29(39)36(30)26-13-14-27(37)33-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-14,17H,15-16,18-20H2,1H3,(H,33,37)
PDB

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PC sid
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n/an/a 2.10n/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
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50385810
PNG
(CHEMBL2043008)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-17-31-25(21)20-34-18-15-30(16-19-34)28(38)35(29(39)36(30)26-13-14-27(37)33-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-14,17H,15-16,18-20H2,1H3,(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2


J Med Chem 55: 2945-59 (2012)


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


(Homo sapiens (Human))
BDBM50385810
PNG
(CHEMBL2043008)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-17-31-25(21)20-34-18-15-30(16-19-34)28(38)35(29(39)36(30)26-13-14-27(37)33-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-14,17H,15-16,18-20H2,1H3,(H,33,37)
PDB
MMDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/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
More data for this
Ligand-Target Pair