BindingDB logo
myBDB logout

BDBM50385788 CHEMBL2041175

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1

InChI Key: InChIKey=GZOBVYAVRWIDTA-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 = 50385788   
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))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/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))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/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))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
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 1.50E+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))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
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 0.200n/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))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
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))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
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))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
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