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SMILES: [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cc(nn1)C1CC1

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50578645   
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 1


(Homo sapiens (Human))
BDBM50578645
PNG
(CHEMBL4865079)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cc(nn1)C1CC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578645
PNG
(CHEMBL4865079)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cc(nn1)C1CC1 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 106n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse Panc02 cells incubated for 48 hrs by RFMS method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50578645
PNG
(CHEMBL4865079)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cc(nn1)C1CC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LCMS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair