BindingDB logo
myBDB logout

4 similar compounds to monomer 129586

Wt: 458.5
BDBM129582
Wt: 472.5
BDBM129588
Wt: 410.4
BDBM129611
Wt: 451.5
BDBM129596

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 129582,129588,129611,129596   
Target
(Institution)
LigandTarget
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))
BDBM129582
PNG
(US8802663, 79)
Show SMILES CC(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1-c1ccncc1
Show InChI InChI=1S/C25H26N6O3/c1-16(2)12-31-22(18-7-9-26-10-8-18)21(11-27-31)24-28-23(29-34-24)19-5-3-17(4-6-19)13-30-14-20(15-30)25(32)33/h3-11,16,20H,12-15H2,1-2H3,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.30n/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 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

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


(Homo sapiens (Human))
BDBM129611
PNG
(US8802663, 152)
Show SMILES N#CCc1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
Show InChI InChI=1S/C24H22N6O/c25-13-10-17-6-8-19(9-7-17)23-28-24(31-29-23)21-16-27-30(20-4-2-1-3-5-20)22(21)18-11-14-26-15-12-18/h6-9,11-12,14-16,20H,1-5,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
3.30n/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 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

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


(Homo sapiens (Human))
BDBM129596
PNG
(US8802663, 137 | US8802663, 149)
Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1cccn1
Show InChI InChI=1S/C26H25N7O/c1-2-5-22(6-3-1)33-24(20-11-14-27-15-12-20)23(17-29-33)26-30-25(31-34-26)21-9-7-19(8-10-21)18-32-16-4-13-28-32/h4,7-17,22H,1-3,5-6,18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
5.16n/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 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

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


(Homo sapiens (Human))
BDBM129596
PNG
(US8802663, 137 | US8802663, 149)
Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1cccn1
Show InChI InChI=1S/C26H25N7O/c1-2-5-22(6-3-1)33-24(20-11-14-27-15-12-20)23(17-29-33)26-30-25(31-34-26)21-9-7-19(8-10-21)18-32-16-4-13-28-32/h4,7-17,22H,1-3,5-6,18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
5.20n/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 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

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


(Homo sapiens (Human))
BDBM129588
PNG
(US8802663, 105)
Show SMILES CC(C)(C)Cn1ncc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1-c1ccncc1
Show InChI InChI=1S/C26H28N6O3/c1-26(2,3)16-32-22(18-8-10-27-11-9-18)21(12-28-32)24-29-23(30-35-24)19-6-4-17(5-7-19)13-31-14-20(15-31)25(33)34/h4-12,20H,13-16H2,1-3H3,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
34n/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 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

More data for this
Ligand-Target Pair