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BDBM50237429 CHEMBL4066355

SMILES: CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1

InChI Key: InChIKey=JWDYUYAEXSMGCJ-JOCHJYFZSA-N

Data: 2 IC50

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 2 hits for monomerid = 50237429   
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
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50237429
PNG
(CHEMBL4066355)
Show SMILES CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1
Show InChI InChI=1S/C24H31N3O/c1-17(2)14-27-18(3)25-23-11-10-21(13-24(23)27)20-8-6-19(7-9-20)15-26-12-4-5-22(26)16-28/h6-11,13,17,22,28H,4-5,12,14-16H2,1-3H3/t22-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50237429
PNG
(CHEMBL4066355)
Show SMILES CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1
Show InChI InChI=1S/C24H31N3O/c1-17(2)14-27-18(3)25-23-11-10-21(13-24(23)27)20-8-6-19(7-9-20)15-26-12-4-5-22(26)16-28/h6-11,13,17,22,28H,4-5,12,14-16H2,1-3H3/t22-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...


J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair