BindingDB logo
myBDB logout

BDBM50385792 CHEMBL2041179

SMILES: COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C

InChI Key: InChIKey=RDZUCMBSXVPKNU-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50385792   
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))
BDBM50385792
PNG
(CHEMBL2041179)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/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
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385792
PNG
(CHEMBL2041179)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50385792
PNG
(CHEMBL2041179)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90E+3n/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)

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


(Homo sapiens (Human))
BDBM50385792
PNG
(CHEMBL2041179)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70n/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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50385792
PNG
(CHEMBL2041179)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50385792
PNG
(CHEMBL2041179)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50385792
PNG
(CHEMBL2041179)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)

More data for this
Ligand-Target Pair