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SMILES: CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(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 9 hits for monomerid = 50561654   
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
UDP-glucuronosyltransferase 2B17


(Homo sapiens (Human))
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Mus musculus)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B15


(Homo sapiens)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Mus musculus)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1-6


(Homo sapiens (Human))
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair