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BDBM50385807 CHEMBL2041194

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1ccncn1

InChI Key: InChIKey=YODHJWDWGCFTKW-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 = 50385807   
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))
BDBM50385807
PNG
(CHEMBL2041194)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C31H29N7O4/c1-20-4-3-12-33-26(20)18-36-14-10-31(11-15-36)29(41)37(30(42)38(31)27-9-13-32-19-35-27)23-6-8-25(34-17-23)24-7-5-22(28(39)40)16-21(24)2/h3-9,12-13,16-17,19H,10-11,14-15,18H2,1-2H3,(H,39,40)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD3


J Med Chem 55: 2945-59 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385807
PNG
(CHEMBL2041194)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C31H29N7O4/c1-20-4-3-12-33-26(20)18-36-14-10-31(11-15-36)29(41)37(30(42)38(31)27-9-13-32-19-35-27)23-6-8-25(34-17-23)24-7-5-22(28(39)40)16-21(24)2/h3-9,12-13,16-17,19H,10-11,14-15,18H2,1-2H3,(H,39,40)
PDB
MMDB

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Article
PubMed
n/an/a 0.800n/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)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385807
PNG
(CHEMBL2041194)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C31H29N7O4/c1-20-4-3-12-33-26(20)18-36-14-10-31(11-15-36)29(41)37(30(42)38(31)27-9-13-32-19-35-27)23-6-8-25(34-17-23)24-7-5-22(28(39)40)16-21(24)2/h3-9,12-13,16-17,19H,10-11,14-15,18H2,1-2H3,(H,39,40)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)

More data for this
Ligand-Target Pair