Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50040127 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)) | BDBM50389532
(CHEMBL2063375)Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389530
(CHEMBL2063372)Show SMILES CCN(CC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(9.62,-11.23,;10.96,-12,;10.96,-13.54,;12.3,-14.3,;12.3,-15.84,;9.63,-14.31,;8.3,-13.55,;6.97,-14.32,;6.96,-15.86,;5.63,-16.63,;8.3,-16.63,;8.29,-18.17,;9.63,-18.94,;10.97,-18.17,;12.3,-18.93,;10.97,-16.63,;9.64,-15.86,;9.63,-20.48,;8.29,-21.25,;6.96,-20.48,;5.63,-21.25,;8.29,-22.79,;9.63,-23.56,;9.63,-25.1,;8.3,-25.87,;6.96,-25.1,;10.97,-22.78,;10.96,-21.24,;12.29,-20.47,;13.63,-21.24,)| Show InChI InChI=1S/C25H32N2O3/c1-8-27(9-2)20-11-10-16(3)24-19(20)12-17(4)25(26-24)23-21(29-6)13-18(15-28-5)14-22(23)30-7/h10-14H,8-9,15H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389539
(CHEMBL2063382)Show SMILES CCN(CC)c1ccc(C)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(62.06,-27.68,;63.4,-28.45,;63.41,-29.99,;64.74,-30.75,;64.75,-32.29,;62.08,-30.76,;60.74,-30,;59.41,-30.77,;59.41,-32.31,;58.08,-33.08,;60.74,-33.08,;60.74,-34.62,;62.07,-35.39,;63.41,-34.62,;64.75,-35.38,;63.41,-33.08,;62.08,-32.31,;62.08,-36.93,;60.74,-37.7,;59.41,-36.93,;58.07,-37.7,;60.74,-39.24,;62.07,-40.01,;62.08,-41.55,;60.74,-42.32,;59.41,-41.55,;63.41,-39.23,;63.41,-37.69,;64.74,-36.92,;66.07,-37.69,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389540
(CHEMBL2063373)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)CC3CC3)c2cc1C |(19.14,-25.33,;20.48,-26.1,;21.81,-25.33,;21.81,-23.79,;20.47,-23.02,;20.47,-21.48,;19.14,-20.71,;17.81,-21.48,;21.81,-20.71,;23.14,-21.48,;24.47,-20.7,;25.81,-21.47,;23.15,-23.01,;21.81,-19.18,;20.47,-18.4,;20.48,-16.86,;19.14,-16.1,;17.81,-16.87,;19.15,-14.55,;20.48,-13.78,;21.81,-14.55,;23.14,-13.77,;24.48,-14.54,;24.48,-16.08,;23.73,-17.41,;25.27,-17.4,;23.14,-12.23,;21.8,-11.47,;21.03,-10.14,;20.26,-11.48,;21.82,-16.1,;23.15,-16.86,;23.15,-18.4,;24.48,-19.17,)| Show InChI InChI=1S/C29H36N2O3/c1-18-6-11-24(31(15-20-7-8-20)16-21-9-10-21)23-12-19(2)29(30-28(18)23)27-25(33-4)13-22(17-32-3)14-26(27)34-5/h6,11-14,20-21H,7-10,15-17H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389527
(CHEMBL2063369)Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389530
(CHEMBL2063372)Show SMILES CCN(CC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(9.62,-11.23,;10.96,-12,;10.96,-13.54,;12.3,-14.3,;12.3,-15.84,;9.63,-14.31,;8.3,-13.55,;6.97,-14.32,;6.96,-15.86,;5.63,-16.63,;8.3,-16.63,;8.29,-18.17,;9.63,-18.94,;10.97,-18.17,;12.3,-18.93,;10.97,-16.63,;9.64,-15.86,;9.63,-20.48,;8.29,-21.25,;6.96,-20.48,;5.63,-21.25,;8.29,-22.79,;9.63,-23.56,;9.63,-25.1,;8.3,-25.87,;6.96,-25.1,;10.97,-22.78,;10.96,-21.24,;12.29,-20.47,;13.63,-21.24,)| Show InChI InChI=1S/C25H32N2O3/c1-8-27(9-2)20-11-10-16(3)24-19(20)12-17(4)25(26-24)23-21(29-6)13-18(15-28-5)14-22(23)30-7/h10-14H,8-9,15H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389539
(CHEMBL2063382)Show SMILES CCN(CC)c1ccc(C)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(62.06,-27.68,;63.4,-28.45,;63.41,-29.99,;64.74,-30.75,;64.75,-32.29,;62.08,-30.76,;60.74,-30,;59.41,-30.77,;59.41,-32.31,;58.08,-33.08,;60.74,-33.08,;60.74,-34.62,;62.07,-35.39,;63.41,-34.62,;64.75,-35.38,;63.41,-33.08,;62.08,-32.31,;62.08,-36.93,;60.74,-37.7,;59.41,-36.93,;58.07,-37.7,;60.74,-39.24,;62.07,-40.01,;62.08,-41.55,;60.74,-42.32,;59.41,-41.55,;63.41,-39.23,;63.41,-37.69,;64.74,-36.92,;66.07,-37.69,)| Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389527
(CHEMBL2063369)Show SMILES CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)| Show InChI InChI=1S/C27H36N2O3/c1-8-12-29(13-9-2)22-11-10-18(3)26-21(22)14-19(4)27(28-26)25-23(31-6)15-20(17-30-5)16-24(25)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389540
(CHEMBL2063373)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)CC3CC3)c2cc1C |(19.14,-25.33,;20.48,-26.1,;21.81,-25.33,;21.81,-23.79,;20.47,-23.02,;20.47,-21.48,;19.14,-20.71,;17.81,-21.48,;21.81,-20.71,;23.14,-21.48,;24.47,-20.7,;25.81,-21.47,;23.15,-23.01,;21.81,-19.18,;20.47,-18.4,;20.48,-16.86,;19.14,-16.1,;17.81,-16.87,;19.15,-14.55,;20.48,-13.78,;21.81,-14.55,;23.14,-13.77,;24.48,-14.54,;24.48,-16.08,;23.73,-17.41,;25.27,-17.4,;23.14,-12.23,;21.8,-11.47,;21.03,-10.14,;20.26,-11.48,;21.82,-16.1,;23.15,-16.86,;23.15,-18.4,;24.48,-19.17,)| Show InChI InChI=1S/C29H36N2O3/c1-18-6-11-24(31(15-20-7-8-20)16-21-9-10-21)23-12-19(2)29(30-28(18)23)27-25(33-4)13-22(17-32-3)14-26(27)34-5/h6,11-14,20-21H,7-10,15-17H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389531
(CHEMBL2063374)Show SMILES COCCN(C)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(38.36,-17.8,;38.35,-16.26,;37.01,-15.49,;37.01,-13.95,;35.67,-13.19,;35.67,-11.65,;34.34,-13.96,;33.01,-13.2,;31.68,-13.97,;31.67,-15.51,;30.34,-16.28,;33.01,-16.28,;33,-17.82,;34.34,-18.59,;35.68,-17.82,;37.01,-18.58,;35.68,-16.28,;34.35,-15.51,;34.34,-20.13,;33,-20.9,;31.67,-20.13,;30.34,-20.9,;33,-22.44,;34.34,-23.21,;34.34,-24.75,;33.01,-25.52,;31.67,-24.75,;35.68,-22.43,;35.67,-20.89,;37,-20.12,;38.34,-20.89,)| Show InChI InChI=1S/C25H32N2O4/c1-16-8-9-20(27(3)10-11-28-4)19-12-17(2)25(26-24(16)19)23-21(30-6)13-18(15-29-5)14-22(23)31-7/h8-9,12-14H,10-11,15H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389526
(CHEMBL2063368)Show SMILES CCCN(CCC)c1cccc2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(27.38,8.73,;27.39,7.17,;26.06,6.4,;26.07,4.86,;27.4,4.09,;28.73,4.87,;30.07,4.1,;24.73,4.08,;23.4,4.85,;22.07,4.08,;22.07,2.53,;23.4,1.76,;23.4,.22,;24.73,-.55,;26.07,.23,;27.41,-.54,;26.07,1.76,;24.74,2.53,;24.74,-2.09,;23.4,-2.85,;22.07,-2.08,;20.73,-2.85,;23.4,-4.39,;24.73,-5.16,;24.73,-6.7,;23.4,-7.48,;22.07,-6.71,;26.07,-4.39,;26.07,-2.85,;27.4,-2.08,;28.73,-2.84,)| Show InChI InChI=1S/C26H34N2O3/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389532
(CHEMBL2063375)Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389528
(CHEMBL2063370)Show SMILES CCCN(CCC)c1ccc(CC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(56.46,9.32,;56.46,7.78,;55.13,6.99,;55.14,5.45,;56.48,4.68,;57.81,5.46,;59.14,4.69,;53.81,4.67,;52.47,5.44,;51.14,4.67,;51.14,3.12,;49.81,2.35,;48.47,3.12,;52.47,2.36,;52.47,.82,;53.81,.04,;55.15,.82,;56.48,.05,;55.14,2.36,;53.81,3.12,;53.81,-1.49,;52.47,-2.26,;51.14,-1.49,;49.81,-2.26,;52.47,-3.8,;53.81,-4.57,;53.81,-6.11,;52.48,-6.88,;51.14,-6.12,;55.14,-3.79,;55.14,-2.26,;56.47,-1.49,;57.81,-2.25,)| Show InChI InChI=1S/C28H38N2O3/c1-8-13-30(14-9-2)23-12-11-21(10-3)28-22(23)15-19(4)27(29-28)26-24(32-6)16-20(18-31-5)17-25(26)33-7/h11-12,15-17H,8-10,13-14,18H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389538
(CHEMBL2063381)Show SMILES CCN(CC)c1ccc(C)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(48.85,-28.49,;50.19,-29.26,;50.19,-30.8,;51.53,-31.56,;51.53,-33.1,;48.86,-31.57,;47.53,-30.81,;46.2,-31.58,;46.2,-33.12,;44.86,-33.89,;47.53,-33.89,;47.52,-35.43,;48.86,-36.2,;50.2,-35.43,;51.54,-36.19,;50.2,-33.89,;48.87,-33.12,;48.86,-37.74,;47.53,-38.51,;46.19,-37.74,;44.86,-38.5,;47.52,-40.05,;48.86,-40.82,;48.86,-42.36,;47.53,-43.13,;46.19,-42.36,;50.2,-40.04,;50.19,-38.5,;51.52,-37.73,;52.86,-38.5,)| Show InChI InChI=1S/C24H29FN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50387026
(CHEMBL2046526)Show SMILES CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 Show InChI InChI=1S/C26H34N2O4/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)32-25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389538
(CHEMBL2063381)Show SMILES CCN(CC)c1ccc(C)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(48.85,-28.49,;50.19,-29.26,;50.19,-30.8,;51.53,-31.56,;51.53,-33.1,;48.86,-31.57,;47.53,-30.81,;46.2,-31.58,;46.2,-33.12,;44.86,-33.89,;47.53,-33.89,;47.52,-35.43,;48.86,-36.2,;50.2,-35.43,;51.54,-36.19,;50.2,-33.89,;48.87,-33.12,;48.86,-37.74,;47.53,-38.51,;46.19,-37.74,;44.86,-38.5,;47.52,-40.05,;48.86,-40.82,;48.86,-42.36,;47.53,-43.13,;46.19,-42.36,;50.2,-40.04,;50.19,-38.5,;51.52,-37.73,;52.86,-38.5,)| Show InChI InChI=1S/C24H29FN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50387026
(CHEMBL2046526)Show SMILES CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 Show InChI InChI=1S/C26H34N2O4/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)32-25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 163 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389531
(CHEMBL2063374)Show SMILES COCCN(C)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(38.36,-17.8,;38.35,-16.26,;37.01,-15.49,;37.01,-13.95,;35.67,-13.19,;35.67,-11.65,;34.34,-13.96,;33.01,-13.2,;31.68,-13.97,;31.67,-15.51,;30.34,-16.28,;33.01,-16.28,;33,-17.82,;34.34,-18.59,;35.68,-17.82,;37.01,-18.58,;35.68,-16.28,;34.35,-15.51,;34.34,-20.13,;33,-20.9,;31.67,-20.13,;30.34,-20.9,;33,-22.44,;34.34,-23.21,;34.34,-24.75,;33.01,-25.52,;31.67,-24.75,;35.68,-22.43,;35.67,-20.89,;37,-20.12,;38.34,-20.89,)| Show InChI InChI=1S/C25H32N2O4/c1-16-8-9-20(27(3)10-11-28-4)19-12-17(2)25(26-24(16)19)23-21(30-6)13-18(15-29-5)14-22(23)31-7/h8-9,12-14H,10-11,15H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389537
(CHEMBL2063380)Show SMILES CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC Show InChI InChI=1S/C24H30N2O3/c1-7-26(8-2)20-12-9-16(3)24-18(20)10-11-19(25-24)23-21(28-5)13-17(15-27-4)14-22(23)29-6/h9-14H,7-8,15H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389529
(CHEMBL2063371)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(C)C)c2cc1C |(-6.68,-25.51,;-5.34,-26.28,;-4.01,-25.51,;-4.01,-23.97,;-5.35,-23.2,;-5.35,-21.66,;-6.68,-20.89,;-8.01,-21.66,;-4.01,-20.89,;-2.68,-21.66,;-1.35,-20.88,;-.01,-21.65,;-2.68,-23.19,;-4.01,-19.36,;-5.35,-18.58,;-5.35,-17.04,;-6.68,-16.28,;-8.01,-17.05,;-6.68,-14.73,;-5.35,-13.96,;-4.01,-14.72,;-2.68,-13.95,;-1.34,-14.71,;-2.69,-12.41,;-4.01,-16.27,;-2.68,-17.04,;-2.67,-18.58,;-1.34,-19.35,)| Show InChI InChI=1S/C23H28N2O3/c1-14-8-9-18(25(3)4)17-10-15(2)23(24-22(14)17)21-19(27-6)11-16(13-26-5)12-20(21)28-7/h8-12H,13H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389534
(CHEMBL2063377)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)C3CCOCC3)c2cc1C |(-6.48,-43.43,;-5.14,-44.19,;-3.81,-43.42,;-3.81,-41.88,;-5.15,-41.11,;-5.15,-39.57,;-6.48,-38.8,;-7.81,-39.57,;-3.81,-38.8,;-2.48,-39.57,;-1.15,-38.8,;.19,-39.56,;-2.47,-41.1,;-3.81,-37.27,;-5.15,-36.49,;-5.14,-34.95,;-6.48,-34.19,;-7.81,-34.96,;-6.47,-32.64,;-5.14,-31.87,;-3.81,-32.64,;-2.48,-31.86,;-2.48,-30.32,;-1.15,-29.55,;.38,-29.53,;-.39,-28.2,;-1.14,-32.63,;-1.13,-34.16,;.2,-34.93,;1.53,-34.16,;1.53,-32.62,;.19,-31.84,;-3.8,-34.19,;-2.47,-34.95,;-2.47,-36.49,;-1.14,-37.26,)| Show InChI InChI=1S/C30H38N2O4/c1-19-6-9-25(32(17-21-7-8-21)23-10-12-36-13-11-23)24-14-20(2)30(31-29(19)24)28-26(34-4)15-22(18-33-3)16-27(28)35-5/h6,9,14-16,21,23H,7-8,10-13,17-18H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 246 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389526
(CHEMBL2063368)Show SMILES CCCN(CCC)c1cccc2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(27.38,8.73,;27.39,7.17,;26.06,6.4,;26.07,4.86,;27.4,4.09,;28.73,4.87,;30.07,4.1,;24.73,4.08,;23.4,4.85,;22.07,4.08,;22.07,2.53,;23.4,1.76,;23.4,.22,;24.73,-.55,;26.07,.23,;27.41,-.54,;26.07,1.76,;24.74,2.53,;24.74,-2.09,;23.4,-2.85,;22.07,-2.08,;20.73,-2.85,;23.4,-4.39,;24.73,-5.16,;24.73,-6.7,;23.4,-7.48,;22.07,-6.71,;26.07,-4.39,;26.07,-2.85,;27.4,-2.08,;28.73,-2.84,)| Show InChI InChI=1S/C26H34N2O3/c1-7-12-28(13-8-2)22-11-9-10-21-20(22)14-18(3)26(27-21)25-23(30-5)15-19(17-29-4)16-24(25)31-6/h9-11,14-16H,7-8,12-13,17H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 276 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389533
(CHEMBL2063376)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)CC3CCOCC3)c2cc1C |(58.2,-23.88,;59.53,-24.65,;60.86,-23.88,;60.86,-22.34,;59.53,-21.57,;59.53,-20.03,;58.19,-19.26,;56.86,-20.02,;60.86,-19.26,;62.19,-20.02,;63.52,-19.25,;64.86,-20.02,;62.2,-21.56,;60.86,-17.72,;59.53,-16.95,;59.53,-15.41,;58.2,-14.64,;56.86,-15.41,;58.2,-13.1,;59.53,-12.33,;60.86,-13.09,;62.19,-12.32,;62.19,-10.78,;60.85,-10.01,;60.08,-8.69,;59.31,-10.02,;63.53,-13.08,;64.86,-12.31,;66.19,-13.08,;67.52,-12.31,;67.52,-10.77,;66.19,-10,;64.85,-10.77,;60.87,-14.64,;62.2,-15.41,;62.2,-16.95,;63.54,-17.71,)| Show InChI InChI=1S/C31H40N2O4/c1-20-6-9-26(33(17-22-7-8-22)18-23-10-12-37-13-11-23)25-14-21(2)31(32-30(20)25)29-27(35-4)15-24(19-34-3)16-28(29)36-5/h6,9,14-16,22-23H,7-8,10-13,17-19H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389528
(CHEMBL2063370)Show SMILES CCCN(CCC)c1ccc(CC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(56.46,9.32,;56.46,7.78,;55.13,6.99,;55.14,5.45,;56.48,4.68,;57.81,5.46,;59.14,4.69,;53.81,4.67,;52.47,5.44,;51.14,4.67,;51.14,3.12,;49.81,2.35,;48.47,3.12,;52.47,2.36,;52.47,.82,;53.81,.04,;55.15,.82,;56.48,.05,;55.14,2.36,;53.81,3.12,;53.81,-1.49,;52.47,-2.26,;51.14,-1.49,;49.81,-2.26,;52.47,-3.8,;53.81,-4.57,;53.81,-6.11,;52.48,-6.88,;51.14,-6.12,;55.14,-3.79,;55.14,-2.26,;56.47,-1.49,;57.81,-2.25,)| Show InChI InChI=1S/C28H38N2O3/c1-8-13-30(14-9-2)23-12-11-21(10-3)28-22(23)15-19(4)27(29-28)26-24(32-6)16-20(18-31-5)17-25(26)33-7/h11-12,15-17H,8-10,13-14,18H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 375 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389537
(CHEMBL2063380)Show SMILES CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC Show InChI InChI=1S/C24H30N2O3/c1-7-26(8-2)20-12-9-16(3)24-18(20)10-11-19(25-24)23-21(28-5)13-17(15-27-4)14-22(23)29-6/h9-14H,7-8,15H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 381 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389536
(CHEMBL2063379)Show SMILES COCCNc1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(29.43,-30.55,;28.1,-31.33,;26.77,-30.56,;25.43,-31.34,;24.1,-30.57,;22.77,-31.35,;21.43,-30.58,;20.1,-31.35,;20.1,-32.9,;18.77,-33.67,;21.43,-33.66,;21.43,-35.2,;22.77,-35.98,;24.11,-35.2,;25.44,-35.97,;24.1,-33.66,;22.77,-32.9,;22.77,-37.51,;21.43,-38.28,;20.1,-37.51,;18.76,-38.28,;21.43,-39.82,;22.77,-40.59,;22.77,-42.13,;21.43,-42.9,;20.1,-42.13,;24.1,-39.81,;24.1,-38.28,;25.43,-37.5,;26.76,-38.27,)| Show InChI InChI=1S/C24H30N2O4/c1-15-7-8-19(25-9-10-27-3)18-11-16(2)24(26-23(15)18)22-20(29-5)12-17(14-28-4)13-21(22)30-6/h7-8,11-13,25H,9-10,14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389535
(CHEMBL2063378)Show SMILES CCC(CC)Nc1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(13.54,-33.34,;12.2,-32.58,;12.2,-31.04,;13.53,-30.26,;14.86,-31.03,;10.86,-30.27,;9.53,-31.05,;8.19,-30.29,;6.87,-31.06,;6.86,-32.6,;5.53,-33.37,;8.2,-33.37,;8.19,-34.91,;9.53,-35.68,;10.87,-34.9,;12.2,-35.67,;10.86,-33.37,;9.53,-32.6,;9.53,-37.22,;8.19,-37.99,;6.86,-37.21,;5.53,-37.98,;8.19,-39.52,;9.53,-40.3,;9.53,-41.84,;8.2,-42.61,;6.86,-41.84,;10.87,-39.52,;10.86,-37.98,;12.19,-37.21,;13.53,-37.98,)| Show InChI InChI=1S/C26H34N2O3/c1-8-19(9-2)27-21-11-10-16(3)25-20(21)12-17(4)26(28-25)24-22(30-6)13-18(15-29-5)14-23(24)31-7/h10-14,19,27H,8-9,15H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389525
(CHEMBL2063367)Show SMILES CCCN(CCC)c1ccc(C)c2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 Show InChI InChI=1S/C27H36N2O4/c1-8-12-29(13-9-2)22-11-10-18(3)25-21(22)14-19(4)27(28-25)33-26-23(31-6)15-20(17-30-5)16-24(26)32-7/h10-11,14-16H,8-9,12-13,17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50389529
(CHEMBL2063371)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(C)C)c2cc1C |(-6.68,-25.51,;-5.34,-26.28,;-4.01,-25.51,;-4.01,-23.97,;-5.35,-23.2,;-5.35,-21.66,;-6.68,-20.89,;-8.01,-21.66,;-4.01,-20.89,;-2.68,-21.66,;-1.35,-20.88,;-.01,-21.65,;-2.68,-23.19,;-4.01,-19.36,;-5.35,-18.58,;-5.35,-17.04,;-6.68,-16.28,;-8.01,-17.05,;-6.68,-14.73,;-5.35,-13.96,;-4.01,-14.72,;-2.68,-13.95,;-1.34,-14.71,;-2.69,-12.41,;-4.01,-16.27,;-2.68,-17.04,;-2.67,-18.58,;-1.34,-19.35,)| Show InChI InChI=1S/C23H28N2O3/c1-14-8-9-18(25(3)4)17-10-15(2)23(24-22(14)17)21-19(27-6)11-16(13-26-5)12-20(21)28-7/h8-12H,13H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3... |
Bioorg Med Chem Lett 22: 5372-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12 |
More data for this
Ligand-Target Pair | |
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