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BDBM50385827 CHEMBL2043002

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1nccc(=O)[nH]1

InChI Key: InChIKey=CXBWIISLEGGOOQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50385827   
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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))
BDBM50385827
PNG
(CHEMBL2043002)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1nccc(=O)[nH]1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-16-31-25(21)20-34-18-14-30(15-19-34)27(38)35(29(39)36(30)28-32-17-13-26(37)33-28)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-13,16-17H,14-15,18-20H2,1H3,(H,32,33,37)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 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
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50385827
PNG
(CHEMBL2043002)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1nccc(=O)[nH]1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-16-31-25(21)20-34-18-14-30(15-19-34)27(38)35(29(39)36(30)28-32-17-13-26(37)33-28)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-13,16-17H,14-15,18-20H2,1H3,(H,32,33,37)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.80n/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))
BDBM50385827
PNG
(CHEMBL2043002)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1nccc(=O)[nH]1
Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-16-31-25(21)20-34-18-14-30(15-19-34)27(38)35(29(39)36(30)28-32-17-13-26(37)33-28)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-13,16-17H,14-15,18-20H2,1H3,(H,32,33,37)
PDB
MMDB

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B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/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