Found 249 hits with Last Name = 'matsushita' and Initial = 't' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362277
(CHEMBL1939601)Show SMILES CCC(CC)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 |(8.13,-31.11,;8.6,-32.58,;7.57,-33.72,;6.06,-33.4,;5.59,-31.93,;8.04,-35.19,;7.14,-36.43,;8.04,-37.68,;7.56,-39.14,;9.5,-37.2,;10.84,-37.98,;12.18,-37.2,;13.5,-37.97,;13.5,-39.51,;12.17,-40.28,;14.83,-40.27,;16.16,-39.51,;17.5,-40.27,;17.5,-41.81,;16.15,-37.96,;14.83,-37.2,;14.82,-35.66,;12.17,-35.65,;13.5,-34.88,;10.83,-34.89,;10.83,-33.35,;9.51,-35.66,)| Show InChI InChI=1S/C22H29N3O2/c1-8-16(9-2)18-12-15(5)25-20(18)22(26)24(6)21(23-25)19-13(3)10-17(27-7)11-14(19)4/h10-12,16H,8-9H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM149712
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362259
(CHEMBL1939570)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12 Show InChI InChI=1S/C21H27N3O2/c1-7-15(8-2)18-12-14(4)24-19(18)21(25)23(5)20(22-24)17-10-9-16(26-6)11-13(17)3/h9-12,15H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065614
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(Rattus norvegicus (Rat)) | BDBM149705
(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) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362291
(CHEMBL1939590)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C24H31N3O2/c1-6-18(7-2)21-13-16(4)27-22(21)24(28)26(14-17-8-9-17)23(25-27)20-11-10-19(29-5)12-15(20)3/h10-13,17-18H,6-9,14H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50143197
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065611
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065611
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362260
(CHEMBL1939571)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12 Show InChI InChI=1S/C20H24ClN3O2/c1-6-13(7-2)16-10-12(3)24-18(16)20(25)23(4)19(22-24)15-9-8-14(26-5)11-17(15)21/h8-11,13H,6-7H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362269
(CHEMBL1939593)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12 Show InChI InChI=1S/C20H26N4O2/c1-7-14(8-2)16-11-12(3)24-18(16)20(25)23(5)19(22-24)15-9-10-17(26-6)21-13(15)4/h9-11,14H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50143192
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065610
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362279
(CHEMBL1939603)Show SMILES CCC(C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 |(34,-31.12,;34.48,-32.59,;33.44,-33.73,;31.94,-33.41,;33.92,-35.2,;33.01,-36.44,;33.91,-37.69,;33.44,-39.16,;35.38,-37.22,;36.71,-37.99,;38.05,-37.22,;39.38,-37.98,;39.38,-39.52,;38.04,-40.29,;40.71,-40.29,;42.04,-39.52,;43.37,-40.29,;43.38,-41.83,;42.03,-37.98,;40.7,-37.22,;40.7,-35.68,;38.05,-35.66,;39.38,-34.89,;36.71,-34.9,;36.7,-33.36,;35.38,-35.68,)| Show InChI InChI=1S/C21H27N3O2/c1-8-12(2)17-11-15(5)24-19(17)21(25)23(6)20(22-24)18-13(3)9-16(26-7)10-14(18)4/h9-12H,8H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362286
(CHEMBL1939585)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CCO)c(=O)c12 Show InChI InChI=1S/C21H26ClN3O3/c1-5-14(6-2)17-11-13(3)25-19(17)21(27)24(9-10-26)20(23-25)16-8-7-15(28-4)12-18(16)22/h7-8,11-12,14,26H,5-6,9-10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362270
(CHEMBL1939594)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC(F)F)nc3C)n(C)c(=O)c12 Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)15-10-11(3)26-17(15)19(27)25(5)18(24-26)14-8-9-16(23-12(14)4)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362284
(CHEMBL1939583)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CC)c(=O)c12 Show InChI InChI=1S/C21H26ClN3O2/c1-6-14(7-2)17-11-13(4)25-19(17)21(26)24(8-3)20(23-25)16-10-9-15(27-5)12-18(16)22/h9-12,14H,6-8H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120582
(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) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50065611
(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) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362273
(CHEMBL1939597)Show SMILES CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12 Show InChI InChI=1S/C19H22ClN3O2/c1-6-11(2)15-9-12(3)23-17(15)19(24)22(4)18(21-23)14-8-7-13(25-5)10-16(14)20/h7-11H,6H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362271
(CHEMBL1939595)Show SMILES CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12 Show InChI InChI=1S/C20H25N3O2/c1-7-12(2)17-11-14(4)23-18(17)20(24)22(5)19(21-23)16-9-8-15(25-6)10-13(16)3/h8-12H,7H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM149709
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362280
(CHEMBL1939592)Show SMILES CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12 Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)14-9-12(4)26-17(14)19(27)25(5)18(24-26)15-10-23-16(8-11(15)3)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362288
(CHEMBL1939587)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C3CC3)c(=O)c12 Show InChI InChI=1S/C23H29N3O2/c1-6-16(7-2)20-13-15(4)26-21(20)23(27)25(17-8-9-17)22(24-26)19-11-10-18(28-5)12-14(19)3/h10-13,16-17H,6-9H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120583
(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) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362289
(CHEMBL1939588)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C3CC3)c(=O)c12 Show InChI InChI=1S/C22H26ClN3O2/c1-5-14(6-2)18-11-13(3)26-20(18)22(27)25(15-7-8-15)21(24-26)17-10-9-16(28-4)12-19(17)23/h9-12,14-15H,5-8H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM149705
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM149705
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50143201
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362266
(CHEMBL1939577)Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cnc(cc1C)N(C)C Show InChI InChI=1S/C22H30N4/c1-8-17(9-2)18-12-16(5)26-20(18)10-15(4)22(24-26)19-13-23-21(25(6)7)11-14(19)3/h10-13,17H,8-9H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362285
(CHEMBL1939584)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CCO)c(=O)c12 Show InChI InChI=1S/C22H29N3O3/c1-6-16(7-2)19-13-15(4)25-20(19)22(27)24(10-11-26)21(23-25)18-9-8-17(28-5)12-14(18)3/h8-9,12-13,16,26H,6-7,10-11H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362274
(CHEMBL1939598)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12 Show InChI InChI=1S/C21H29N5O/c1-8-15(9-2)17-12-13(3)26-19(17)21(27)25(7)20(23-26)16-10-11-18(24(5)6)22-14(16)4/h10-12,15H,8-9H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50143203
(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=1S/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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50362280
(CHEMBL1939592)Show SMILES CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12 Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)14-9-12(4)26-17(14)19(27)25(5)18(24-26)15-10-23-16(8-11(15)3)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from rat CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362292
(CHEMBL1939591)Show SMILES CCC(CC)c1cc(C)n2nc(-c3cnc(OC)cc3C)n(C)c(=O)c12 Show InChI InChI=1S/C20H26N4O2/c1-7-14(8-2)15-10-13(4)24-18(15)20(25)23(5)19(22-24)16-11-21-17(26-6)9-12(16)3/h9-11,14H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362272
(CHEMBL1939596)Show SMILES COc1ccc(c(Cl)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C Show InChI InChI=1S/C18H20ClN3O2/c1-10(2)14-8-11(3)22-16(14)18(23)21(4)17(20-22)13-7-6-12(24-5)9-15(13)19/h6-10H,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50143202
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065615
(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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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=1S/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) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362265
(CHEMBL1939576)Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc(OC)c(OC)cc1CC Show InChI InChI=1S/C24H32N2O2/c1-8-17(9-2)19-12-16(5)26-21(19)11-15(4)24(25-26)20-14-23(28-7)22(27-6)13-18(20)10-3/h11-14,17H,8-10H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50143200
(CHEMBL3758775)Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)C(O)=O)c1 Show InChI InChI=1S/C31H35FN2O6/c1-20(2)19-31(38)12-14-34(15-13-31)30(37)33-24-16-27(18-28(17-24)40-26-10-6-23(32)7-11-26)39-25-8-4-22(5-9-25)21(3)29(35)36/h4-11,16-18,20-21,38H,12-15,19H2,1-3H3,(H,33,37)(H,35,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362283
(CHEMBL1939582)Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC)c(=O)c12 Show InChI InChI=1S/C22H29N3O2/c1-7-16(8-2)19-13-15(5)25-20(19)22(26)24(9-3)21(23-25)18-11-10-17(27-6)12-14(18)4/h10-13,16H,7-9H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065628
(CHEMBL1368758 | US9663511, Compound JTE013)Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(C)nc(C)c12 Show InChI InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at S1P2 receptor (unknown origin) |
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)) | BDBM50143198
(CHEMBL3758974)Show SMILES COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(O)=O Show InChI InChI=1S/C30H33FN2O7/c1-19(2)18-30(37)10-12-33(13-11-30)29(36)32-21-14-24(39-22-6-4-20(31)5-7-22)16-25(15-21)40-23-8-9-26(28(34)35)27(17-23)38-3/h4-9,14-17,19,37H,10-13,18H2,1-3H3,(H,32,36)(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362261
(CHEMBL1939572)Show InChI InChI=1S/C22H28N2/c1-7-18(8-2)20-13-17(6)24-21(20)12-16(5)22(23-24)19-10-9-14(3)11-15(19)4/h9-13,18H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50143191
(CHEMBL3758214)Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C31H35FN2O6/c1-3-21(4-2)20-31(38)13-15-34(16-14-31)30(37)33-24-17-27(39-25-9-5-22(6-10-25)29(35)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,(H,33,37)(H,35,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.031
BindingDB Entry DOI: 10.7270/Q2ST7RQ6 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120579
(CHEMBL3618196)Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H27ClFN3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065612
(CHEMBL3401384)Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)12-14-35(15-13-31)30(37)34-24-17-27(39-25-10-8-23(32)9-11-25)19-28(18-24)40-26-7-5-6-22(16-26)29(33)36/h5-11,16-19,21,38H,3-4,12-15,20H2,1-2H3,(H2,33,36)(H,34,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362278
(CHEMBL1939602)Show SMILES COc1cc(C)c(c(C)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C |(30.32,-42.59,;30.32,-41.05,;28.99,-40.28,;27.66,-41.05,;26.33,-40.28,;24.99,-41.05,;26.33,-38.75,;27.65,-37.98,;27.65,-36.44,;28.98,-38.74,;25,-37.98,;23.66,-38.75,;22.33,-37.98,;20.86,-38.45,;20.38,-39.92,;19.96,-37.21,;20.86,-35.96,;20.39,-34.5,;21.42,-33.35,;18.88,-34.17,;22.33,-36.44,;23.66,-35.66,;23.65,-34.12,;24.99,-36.43,;26.33,-35.65,)| Show InChI InChI=1S/C20H25N3O2/c1-11(2)16-10-14(5)23-18(16)20(24)22(6)19(21-23)17-12(3)8-15(25-7)9-13(17)4/h8-11H,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362263
(CHEMBL1939574)Show SMILES CCOc1ccc(c(CC)c1)-c1nn2c(C)cc(C(CC)CC)c2cc1C Show InChI InChI=1S/C24H32N2O/c1-7-18(8-2)22-14-17(6)26-23(22)13-16(5)24(25-26)21-12-11-20(27-10-4)15-19(21)9-3/h11-15,18H,7-10H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter |
Bioorg Med Chem 20: 1122-38 (2012)
Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT |
More data for this
Ligand-Target Pair | |
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