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BDBM50127206 CHEMBL3628604

SMILES: CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1

InChI Key: InChIKey=GHOIRBIJSCMEDE-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50127206   
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
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50127206
PNG
(CHEMBL3628604)
Show SMILES CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C23H22N4O3/c1-3-26(4-2)19(28)13-15-9-11-16(12-10-15)14-27-21-20(24-25-27)22(29)17-7-5-6-8-18(17)23(21)30/h5-12H,3-4,13-14H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 922n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127206
PNG
(CHEMBL3628604)
Show SMILES CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C23H22N4O3/c1-3-26(4-2)19(28)13-15-9-11-16(12-10-15)14-27-21-20(24-25-27)22(29)17-7-5-6-8-18(17)23(21)30/h5-12H,3-4,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 145n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair