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SMILES: [H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F

InChI Key:

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 = 50557799   
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50557799
PNG
(CHEMBL4750603)
Show SMILES [H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 15n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00112
BindingDB Entry DOI: 10.7270/Q21R6V6T
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50557799
PNG
(CHEMBL4750603)
Show SMILES [H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00112
BindingDB Entry DOI: 10.7270/Q21R6V6T
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50557799
PNG
(CHEMBL4750603)
Show SMILES [H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00112
BindingDB Entry DOI: 10.7270/Q21R6V6T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50557799
PNG
(CHEMBL4750603)
Show SMILES [H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 67n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00112
BindingDB Entry DOI: 10.7270/Q21R6V6T
More data for this
Ligand-Target Pair