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8 similar compounds to monomer 129610

Wt: 451.5
BDBM129595
Wt: 407.4
BDBM129580
Wt: 453.4
BDBM129613
Wt: 411.4
BDBM129581
Wt: 453.4
BDBM129614
Wt: 453.4
BDBM129609
Wt: 410.4
BDBM129611
Wt: 451.5
BDBM129596

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 129595,129580,129613,129581,129614,129609,129611,129596   
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))
BDBM129595
PNG
(US8802663, 136 | US8802663, 148)
Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1ccnc1
Show InChI InChI=1S/C26H25N7O/c1-2-4-22(5-3-1)33-24(20-10-12-27-13-11-20)23(16-29-33)26-30-25(31-34-26)21-8-6-19(7-9-21)17-32-15-14-28-18-32/h6-16,18,22H,1-5,17H2
PDB

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US Patent
2.06n/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))
BDBM129595
PNG
(US8802663, 136 | US8802663, 148)
Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1ccnc1
Show InChI InChI=1S/C26H25N7O/c1-2-4-22(5-3-1)33-24(20-10-12-27-13-11-20)23(16-29-33)26-30-25(31-34-26)21-8-6-19(7-9-21)17-32-15-14-28-18-32/h6-16,18,22H,1-5,17H2
PDB

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2.10n/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 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
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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))
BDBM129609
PNG
(US8802663, 150)
Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1ncnn1
Show InChI InChI=1S/C24H23N9O/c1-2-4-20(5-3-1)33-22(18-10-12-25-13-11-18)21(14-27-33)24-29-23(30-34-24)19-8-6-17(7-9-19)15-32-28-16-26-31-32/h6-14,16,20H,1-5,15H2
PDB

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3.40n/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))
BDBM129580
PNG
(US8802663, 23)
Show SMILES Fc1ccc(F)c(c1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
Show InChI InChI=1S/C22H19F2N5O/c23-15-6-7-19(24)17(12-15)21-27-22(30-28-21)18-13-26-29(16-4-2-1-3-5-16)20(18)14-8-10-25-11-9-14/h6-13,16H,1-5H2
PDB

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5n/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

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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

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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))
BDBM129614
PNG
(US8802663, 155)
Show SMILES C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1cnnn1
Show InChI InChI=1S/C24H23N9O/c1-2-4-20(5-3-1)33-22(18-10-12-25-13-11-18)21(14-27-33)24-28-23(29-34-24)19-8-6-17(7-9-19)15-32-16-26-30-31-32/h6-14,16,20H,1-5,15H2
PDB

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6n/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))
BDBM129581
PNG
(US8802663, 38)
Show SMILES C1CCC(CC1)n1ncc(-c2nc(no2)-c2ccc3[nH]ncc3c2)c1-c1ccncc1
Show InChI InChI=1S/C23H21N7O/c1-2-4-18(5-3-1)30-21(15-8-10-24-11-9-15)19(14-26-30)23-27-22(29-31-23)16-6-7-20-17(12-16)13-25-28-20/h6-14,18H,1-5H2,(H,25,28)
PDB

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68n/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))
BDBM129613
PNG
(US8802663, 154)
Show SMILES C(c1nnn[nH]1)c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
Show InChI InChI=1S/C24H23N9O/c1-2-4-19(5-3-1)33-22(17-10-12-25-13-11-17)20(15-26-33)24-27-23(30-34-24)18-8-6-16(7-9-18)14-21-28-31-32-29-21/h6-13,15,19H,1-5,14H2,(H,28,29,31,32)
PDB

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76n/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