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BDBM50385800 CHEMBL2041187

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1

InChI Key: InChIKey=CHORIEKBRNXNSE-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 = 50385800   
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))
BDBM50385800
PNG
(CHEMBL2041187)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)
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PC sid
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n/an/a 10n/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
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385800
PNG
(CHEMBL2041187)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)
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n/an/a 1.20n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50385800
PNG
(CHEMBL2041187)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)
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n/an/a 1.90E+4n/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)


Article DOI: 10.1021/jm201542d
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385800
PNG
(CHEMBL2041187)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)
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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)


Article DOI: 10.1021/jm201542d
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50385800
PNG
(CHEMBL2041187)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)
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n/an/a>1.00E+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)


Article DOI: 10.1021/jm201542d
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50385800
PNG
(CHEMBL2041187)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)
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PC cid
PC sid
UniChem
Article
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n/an/a>1.00E+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)


Article DOI: 10.1021/jm201542d
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50385800
PNG
(CHEMBL2041187)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)
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n/an/a>1.00E+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)


Article DOI: 10.1021/jm201542d
More data for this
Ligand-Target Pair