BindingDB logo
myBDB logout

BDBM192132 US9187437, 17::US9187437, 28

SMILES: Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1

InChI Key: InChIKey=IEHOOLMQRMNLOQ-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 192132   
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 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM192132
PNG
(US9187437, 17 | US9187437, 28)
Show SMILES Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1
Show InChI InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 25n/an/an/an/a7.525



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...


US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM192132
PNG
(US9187437, 17 | US9187437, 28)
Show SMILES Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1
Show InChI InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 1.20E+3n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...


US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM192132
PNG
(US9187437, 17 | US9187437, 28)
Show SMILES Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1
Show InChI InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 740n/an/an/a60



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...


US Patent US9187437 (2015)


BindingDB Entry DOI: 10.7270/Q2JH3K0X
More data for this
Ligand-Target Pair