BindingDB logo
myBDB logout

BDBM50385834 CHEMBL2043006

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(O)ccn1

InChI Key: InChIKey=OMRUHMMHFQEGRU-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 = 50385834   
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))
BDBM50385834
PNG
(CHEMBL2043006)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(O)ccn1
Show InChI InChI=1S/C31H29N5O3/c1-22-6-5-16-32-27(22)21-34-18-14-31(15-19-34)29(38)35(30(39)36(31)28-20-26(37)13-17-33-28)25-11-9-24(10-12-25)23-7-3-2-4-8-23/h2-13,16-17,20H,14-15,18-19,21H2,1H3,(H,33,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/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))
BDBM50385834
PNG
(CHEMBL2043006)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(O)ccn1
Show InChI InChI=1S/C31H29N5O3/c1-22-6-5-16-32-27(22)21-34-18-14-31(15-19-34)29(38)35(30(39)36(31)28-20-26(37)13-17-33-28)25-11-9-24(10-12-25)23-7-3-2-4-8-23/h2-13,16-17,20H,14-15,18-19,21H2,1H3,(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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))
BDBM50385834
PNG
(CHEMBL2043006)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(O)ccn1
Show InChI InChI=1S/C31H29N5O3/c1-22-6-5-16-32-27(22)21-34-18-14-31(15-19-34)29(38)35(30(39)36(31)28-20-26(37)13-17-33-28)25-11-9-24(10-12-25)23-7-3-2-4-8-23/h2-13,16-17,20H,14-15,18-19,21H2,1H3,(H,33,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/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))
BDBM50385834
PNG
(CHEMBL2043006)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(O)ccn1
Show InChI InChI=1S/C31H29N5O3/c1-22-6-5-16-32-27(22)21-34-18-14-31(15-19-34)29(38)35(30(39)36(31)28-20-26(37)13-17-33-28)25-11-9-24(10-12-25)23-7-3-2-4-8-23/h2-13,16-17,20H,14-15,18-19,21H2,1H3,(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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))
BDBM50385834
PNG
(CHEMBL2043006)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(O)ccn1
Show InChI InChI=1S/C31H29N5O3/c1-22-6-5-16-32-27(22)21-34-18-14-31(15-19-34)29(38)35(30(39)36(31)28-20-26(37)13-17-33-28)25-11-9-24(10-12-25)23-7-3-2-4-8-23/h2-13,16-17,20H,14-15,18-19,21H2,1H3,(H,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/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