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BDBM50126144 CHEMBL3629569

SMILES: OC(CC1c2ccccc2-c2cncn12)C1CCCCC1

InChI Key: InChIKey=YTRRAUACYORZLX-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50126144   
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))
BDBM50126144
PNG
(CHEMBL3629569)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of human IDO1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50126144
PNG
(CHEMBL3629569)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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n/an/an/an/a 61n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50126144
PNG
(CHEMBL3629569)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50126144
PNG
(CHEMBL3629569)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
PDB

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PC cid
PC sid
PDB
UniChem

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PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of TDO (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair