new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'kusumi' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50087713
PNG
((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-4.03,1.25,;-2.68,.48,;-1.35,1.27,;-1.37,2.81,;-2.86,3.21,;-.02,.5,;-.02,-1.04,;-1.34,-1.81,;-1.34,-3.35,;-2.66,-4.12,;,-4.12,;1.33,-3.35,;2.8,-3.8,;3.7,-2.55,;5.24,-2.53,;2.77,-1.32,;1.33,-1.81,;3.3,-5.26,;2.28,-6.39,;2.77,-7.87,;4.28,-8.16,;4.78,-9.63,;3.76,-10.79,;5.3,-7,;4.79,-5.55,;5.82,-4.4,)|
Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223276
PNG
(CHEMBL65426)
Show SMILES ONC(=O)CN1CCC(CC1)(C#N)c1ccc(OC(F)F)c(OC2CCCC2)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0510n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223272
PNG
(CHEMBL67668)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC(=O)NO)CC1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0800n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223263
PNG
(CHEMBL291889)
Show SMILES COc1ccc(cc1OC1CCC1)C1(CCN(CC(=O)NO)CC1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.180n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223346
PNG
(CHEMBL65114)
Show SMILES COc1ccc(cc1OCC1CC1)C1(CCN(CC(=O)NO)CC1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223224
PNG
(CHEMBL65115)
Show SMILES CCOc1cc(ccc1OC)C1(CCN(CC(=O)NO)CC1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223341
PNG
(CHEMBL294494)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)[C@H](C)C(=O)NO)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.910n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223220
PNG
(CHEMBL63461)
Show SMILES COc1ccc(cc1OC(C)C)C1(CCN(CC(=O)NO)CC1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149710
PNG
(US8975409, Example 38)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(c1)C(=O)Oc1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C33H37FN2O7/c1-21(2)20-33(41)13-15-36(16-14-33)31(40)35-25-17-22(18-28(19-25)42-26-11-7-24(34)8-12-26)29(37)43-27-9-5-23(6-10-27)32(3,4)30(38)39/h5-12,17-19,21,41H,13-16,20H2,1-4H3,(H,35,40)(H,38,39)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149709
PNG
(US8975409, Example 19)
Show SMILES CC(C)CC1(O)CN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C30H33FN2O6/c1-19(2)16-30(37)17-33(18-30)28(36)32-22-13-25(15-26(14-22)39-24-11-7-21(31)8-12-24)38-23-9-5-20(6-10-23)29(3,4)27(34)35/h5-15,19,37H,16-18H2,1-4H3,(H,32,36)(H,34,35)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149712
PNG
(US8975409, Example 9)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149712
PNG
(US8975409, Example 9)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149712
PNG
(US8975409, Example 9)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351393
PNG
(CHEMBL1819083)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC(F)F)cc1Cl |(46.52,-30.65,;45.17,-31.39,;45.14,-32.93,;46.46,-33.73,;47.81,-32.98,;43.79,-33.68,;43.76,-35.22,;42.41,-35.96,;40.95,-35.46,;40.02,-36.69,;40.91,-37.95,;42.38,-37.51,;43.7,-38.3,;45.06,-37.54,;46.52,-38.04,;47.44,-36.8,;48.98,-36.82,;46.55,-35.55,;45.08,-36.01,;46.98,-39.51,;45.93,-40.64,;46.39,-42.1,;47.89,-42.44,;48.35,-43.91,;47.31,-45.05,;47.77,-46.52,;45.81,-44.71,;48.94,-41.3,;48.47,-39.84,;49.51,-38.7,)|
Show InChI InChI=1S/C22H25ClF2N4O/c1-4-13(5-2)26-20-16-7-6-8-18(16)27-21-19(12(3)28-29(20)21)15-10-9-14(11-17(15)23)30-22(24)25/h9-11,13,22,26H,4-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065614
PNG
(CHEMBL3401386)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)NC)c1
Show InChI InChI=1S/C32H38FN3O5/c1-4-22(5-2)21-32(39)14-16-36(17-15-32)31(38)35-25-18-28(40-26-10-6-23(7-11-26)30(37)34-3)20-29(19-25)41-27-12-8-24(33)9-13-27/h6-13,18-20,22,39H,4-5,14-17,21H2,1-3H3,(H,34,37)(H,35,38)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149706
PNG
(US8975409, Example 13)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1
Show InChI InChI=1S/C34H39FN2O6/c1-3-23(4-2)22-33(41)15-17-37(18-16-33)32(40)36-26-19-29(21-30(20-26)43-28-11-7-25(35)8-12-28)42-27-9-5-24(6-10-27)34(13-14-34)31(38)39/h5-12,19-21,23,41H,3-4,13-18,22H2,1-2H3,(H,36,40)(H,38,39)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149706
PNG
(US8975409, Example 13)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1
Show InChI InChI=1S/C34H39FN2O6/c1-3-23(4-2)22-33(41)15-17-37(18-16-33)32(40)36-26-19-29(21-30(20-26)43-28-11-7-25(35)8-12-28)42-27-9-5-24(6-10-27)34(13-14-34)31(38)39/h5-12,19-21,23,41H,3-4,13-18,22H2,1-2H3,(H,36,40)(H,38,39)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149710
PNG
(US8975409, Example 38)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(c1)C(=O)Oc1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C33H37FN2O7/c1-21(2)20-33(41)13-15-36(16-14-33)31(40)35-25-17-22(18-28(19-25)42-26-11-7-24(34)8-12-26)29(37)43-27-9-5-23(6-10-27)32(3,4)30(38)39/h5-12,17-19,21,41H,13-16,20H2,1-4H3,(H,35,40)(H,38,39)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143197
PNG
(CHEMBL3759037)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(C(O)=O)c(Cl)c2)c1
Show InChI InChI=1S/C29H30ClFN2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-20-13-23(38-21-5-3-19(31)4-6-21)15-24(14-20)39-22-7-8-25(27(34)35)26(30)16-22/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter


Bioorg Med Chem Lett 25: 4387-92 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351387
PNG
(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(23.48,-13.44,;22.13,-14.18,;22.1,-15.72,;23.42,-16.52,;24.77,-15.77,;20.75,-16.47,;20.72,-18.01,;19.37,-18.75,;17.91,-18.25,;16.98,-19.48,;17.87,-20.74,;19.34,-20.29,;20.67,-21.09,;22.02,-20.33,;23.48,-20.82,;24.4,-19.59,;25.94,-19.61,;23.51,-18.34,;22.04,-18.8,;23.94,-22.29,;22.89,-23.42,;23.35,-24.89,;24.85,-25.23,;25.31,-26.7,;24.27,-27.83,;25.9,-24.09,;25.44,-22.62,;26.47,-21.49,)|
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143192
PNG
(CHEMBL3758929)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C29H31FN2O6/c1-19(2)18-29(36)11-13-32(14-12-29)28(35)31-22-15-25(37-23-7-3-20(4-8-23)27(33)34)17-26(16-22)38-24-9-5-21(30)6-10-24/h3-10,15-17,19,36H,11-14,18H2,1-2H3,(H,31,35)(H,33,34)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065610
PNG
(CHEMBL3401382)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C30H36FN3O6S/c1-3-21(4-2)20-30(36)13-15-34(16-14-30)29(35)33-23-17-26(39-24-7-5-22(31)6-8-24)19-27(18-23)40-25-9-11-28(12-10-25)41(32,37)38/h5-12,17-19,21,36H,3-4,13-16,20H2,1-2H3,(H,33,35)(H2,32,37,38)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM50120582
PNG
(CHEMBL3618199)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H28F2N2O6S/c1-42(38,39)29-12-10-26(11-13-29)41-28-19-24(18-27(20-28)40-25-8-6-23(33)7-9-25)34-30(36)35-16-14-31(37,15-17-35)21-2-4-22(32)5-3-21/h2-13,18-20,37H,14-17H2,1H3,(H,34,36)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223275
PNG
(CHEMBL64989)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)C1(CC1)C(=O)NO)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4.60n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223348
PNG
(CHEMBL66357)
Show SMILES COc1ccc(cc1OC)C1(CCN(CC(=O)NO)CC1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM50065611
PNG
(CHEMBL3401383)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM149708
PNG
(US8975409, Example 15(6))
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)N2CCCC(O)C2)c1
Show InChI InChI=1/C36H44FN3O6/c1-3-25(4-2)23-36(44)15-18-39(19-16-36)35(43)38-28-20-32(22-33(21-28)46-31-13-9-27(37)10-14-31)45-30-11-7-26(8-12-30)34(42)40-17-5-6-29(41)24-40/h7-14,20-22,25,29,41,44H,3-6,15-19,23-24H2,1-2H3,(H,38,43)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223369
PNG
(CHEMBL111171)
Show SMILES COc1cccc(Nc2c(cnc3n(C)nc(C)c23)C(N)=O)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 29-32 (2004)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149708
PNG
(US8975409, Example 15(6))
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)N2CCCC(O)C2)c1
Show InChI InChI=1/C36H44FN3O6/c1-3-25(4-2)23-36(44)15-18-39(19-16-36)35(43)38-28-20-32(22-33(21-28)46-31-13-9-27(37)10-14-31)45-30-11-7-26(8-12-30)34(42)40-17-5-6-29(41)24-40/h7-14,20-22,25,29,41,44H,3-6,15-19,23-24H2,1-2H3,(H,38,43)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.10n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149709
PNG
(US8975409, Example 19)
Show SMILES CC(C)CC1(O)CN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C30H33FN2O6/c1-19(2)16-30(37)17-33(18-30)28(36)32-22-13-25(15-26(14-22)39-24-11-7-21(31)8-12-24)38-23-9-5-20(6-10-23)29(3,4)27(34)35/h5-15,19,37H,16-18H2,1-4H3,(H,32,36)(H,34,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (S1P2)


(Rattus norvegicus (Rat))
BDBM50120583
PNG
(CHEMBL3618200)
Show SMILES NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C30H27F2N3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223344
PNG
(CHEMBL63568)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)[C@@H](C)C(=O)NO)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351394
PNG
(CHEMBL1819084)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(-1.48,5.16,;-2.83,4.41,;-2.86,2.87,;-1.54,2.08,;-.19,2.83,;-4.2,2.13,;-4.23,.59,;-5.59,-.15,;-5.61,-1.7,;-6.96,-2.44,;-4.29,-2.55,;-2.93,-1.74,;-1.48,-2.23,;-.56,-1,;.98,-1.01,;-1.45,.26,;-2.92,-.2,;-1.02,-3.7,;-2.07,-4.83,;-1.61,-6.3,;-.1,-6.63,;.36,-8.1,;-.69,-9.24,;.94,-5.49,;.48,-4.03,;1.52,-2.89,)|
Show InChI InChI=1S/C20H25ClN4O/c1-6-14(7-2)23-18-10-12(3)22-20-19(13(4)24-25(18)20)16-9-8-15(26-5)11-17(16)21/h8-11,14,23H,6-7H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223271
PNG
(CHEMBL63028)
Show SMILES CCOc1ccc(cc1OC1CCCC1)C1(CCN(CC(=O)NO)CC1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 6.20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 207-10 (2004)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.20n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149705
PNG
(US8975409, Example 9(3))
Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay


Bioorg Med Chem Lett 25: 4387-92 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6G1K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143201
PNG
(CHEMBL3759864)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C2(CC2)C(O)=O)c1
Show InChI InChI=1S/C32H35FN2O6/c1-21(2)20-31(39)13-15-35(16-14-31)30(38)34-24-17-27(19-28(18-24)41-26-9-5-23(33)6-10-26)40-25-7-3-22(4-8-25)32(11-12-32)29(36)37/h3-10,17-19,21,39H,11-16,20H2,1-2H3,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351396
PNG
(CHEMBL1819086)
Show SMILES CCC(CC)Nc1c2OCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(27.95,4.87,;26.6,4.13,;26.57,2.59,;27.89,1.79,;29.24,2.54,;25.23,1.84,;25.2,.3,;23.85,-.44,;22.39,.06,;21.46,-1.17,;22.34,-2.43,;23.82,-1.98,;25.14,-2.78,;26.5,-2.02,;27.95,-2.52,;28.87,-1.28,;30.41,-1.3,;27.98,-.03,;26.52,-.49,;28.41,-3.99,;27.37,-5.11,;27.82,-6.58,;29.33,-6.92,;29.79,-8.39,;28.74,-9.53,;30.37,-5.78,;29.91,-4.32,;30.95,-3.18,)|
Show InChI InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-21-19-17(9-10-28-19)24-20-18(12(3)25-26(20)21)15-8-7-14(27-4)11-16(15)22/h7-8,11,13,23H,5-6,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM149707
PNG
(US8975409, Example 15(1))
Show SMILES CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C33H40FN3O5/c1-4-23(5-2)22-33(40)15-17-37(18-16-33)32(39)36-26-19-29(21-30(20-26)42-28-13-9-25(34)10-14-28)41-27-11-7-24(8-12-27)31(38)35-6-3/h7-14,19-21,23,40H,4-6,15-18,22H2,1-3H3,(H,35,38)(H,36,39)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/a7.237



ONO Pharmaceutical Co., Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...


US Patent US8975409 (2015)


BindingDB Entry DOI: 10.7270/Q2X34W60
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50351387
PNG
(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(23.48,-13.44,;22.13,-14.18,;22.1,-15.72,;23.42,-16.52,;24.77,-15.77,;20.75,-16.47,;20.72,-18.01,;19.37,-18.75,;17.91,-18.25,;16.98,-19.48,;17.87,-20.74,;19.34,-20.29,;20.67,-21.09,;22.02,-20.33,;23.48,-20.82,;24.4,-19.59,;25.94,-19.61,;23.51,-18.34,;22.04,-18.8,;23.94,-22.29,;22.89,-23.42,;23.35,-24.89,;24.85,-25.23,;25.31,-26.7,;24.27,-27.83,;25.9,-24.09,;25.44,-22.62,;26.47,-21.49,)|
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from corticotropin-releasing factor receptor 1 in rat brain membranes after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143203
PNG
(CHEMBL3759434)
Show SMILES CC(C)CC1(O)CCN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1/C31H35FN2O6/c1-20(2)18-31(38)13-14-34(19-31)29(37)33-23-15-26(17-27(16-23)40-25-11-7-22(32)8-12-25)39-24-9-5-21(6-10-24)30(3,4)28(35)36/h5-12,15-17,20,38H,13-14,18-19H2,1-4H3,(H,33,37)(H,35,36)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065615
PNG
(CHEMBL3401387)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)N(C)C)c1
Show InChI InChI=1S/C33H40FN3O5/c1-5-23(6-2)22-33(40)15-17-37(18-16-33)32(39)35-26-19-29(21-30(20-26)42-28-13-9-25(34)10-14-28)41-27-11-7-24(8-12-27)31(38)36(3)4/h7-14,19-21,23,40H,5-6,15-18,22H2,1-4H3,(H,35,39)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143206
PNG
(CHEMBL3759532)
Show SMILES CC(C)(C(O)=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C3)C3CCCC3)cc(Oc3ccc(F)cc3)c2)cc1
Show InChI InChI=1/C32H35FN2O6/c1-31(2,29(36)37)21-7-11-25(12-8-21)40-27-17-24(18-28(19-27)41-26-13-9-23(33)10-14-26)34-30(38)35-16-15-32(39,20-35)22-5-3-4-6-22/h7-14,17-19,22,39H,3-6,15-16,20H2,1-2H3,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50143202
PNG
(CHEMBL3758872)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccc(c2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)12-14-35(15-13-32)30(38)34-24-17-27(40-25-10-8-23(33)9-11-25)19-28(18-24)41-26-7-5-6-22(16-26)31(3,4)29(36)37/h5-11,16-19,21,39H,12-15,20H2,1-4H3,(H,34,38)(H,36,37)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351386
PNG
(CHEMBL1819076)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(11.43,-13.22,;10.08,-13.96,;10.05,-15.5,;11.37,-16.3,;12.72,-15.55,;8.71,-16.25,;8.68,-17.79,;7.33,-18.53,;5.87,-18.03,;4.94,-19.26,;5.82,-20.52,;7.3,-20.08,;8.62,-20.87,;9.98,-20.11,;11.43,-20.61,;12.35,-19.37,;13.89,-19.39,;11.46,-18.12,;10,-18.58,;11.89,-22.08,;13.39,-22.41,;14.43,-21.27,;13.85,-23.87,;12.81,-25.01,;13.27,-26.48,;12.22,-27.62,;11.3,-24.67,;10.85,-23.21,;9.34,-22.87,)|
Show InChI InChI=1S/C24H32N4O/c1-7-17(8-2)25-23-19-10-9-11-20(19)26-24-22(16(5)27-28(23)24)21-14(3)12-18(29-6)13-15(21)4/h12-13,17,25H,7-11H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 318 total )  |  Next  |  Last  >>
Jump to: