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3 similar compounds to monomer 123457

Wt: 411.4
BDBM123456
Wt: 483.5
BDBM123462
Wt: 483.5
BDBM123467

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 123456,123462,123467   
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 (S1P1)


(Homo sapiens (Human))
BDBM123462
PNG
(US8741923, 35)
Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2CCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C29H29N3O4/c1-19-5-3-4-6-25(19)26-10-9-22(16-24(26)18-35-2)29-30-28(31-36-29)21-8-7-20-11-13-32(14-12-27(33)34)17-23(20)15-21/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,33,34)
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PC sid
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Similars

US Patent
0.230n/an/an/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells we...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM123456
PNG
(US8741923, 15)
Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2CCNCc2c1
Show InChI InChI=1S/C26H25N3O2/c1-17-5-3-4-6-23(17)24-10-9-20(14-22(24)16-30-2)26-28-25(29-31-26)19-8-7-18-11-12-27-15-21(18)13-19/h3-10,13-14,27H,11-12,15-16H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
1n/an/an/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells we...


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM123467
PNG
(US8741923, 40)
Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2CN(CCC(O)=O)CCc2c1
Show InChI InChI=1S/C29H29N3O4/c1-19-5-3-4-6-25(19)26-10-9-22(16-24(26)18-35-2)29-30-28(31-36-29)21-7-8-23-17-32(14-12-27(33)34)13-11-20(23)15-21/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.10n/an/an/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells we...


Citation and Details
More data for this
Ligand-Target Pair