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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'hibi' and Initial = 's'   
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))		BDBM50116105
PNG
(3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
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 8.30n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420920
PNG
(CHEMBL2087549 | CHEMBL2087567)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)|
Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3
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 11n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(Homo sapiens (Human))		BDBM50420920
PNG
(CHEMBL2087549 | CHEMBL2087567)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)|
Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF2 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50084833
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H27NO2/c1-24(2)13-14-25(3,4)20-15-18(9-10-19(20)24)22-12-11-21(26-22)16-5-7-17(8-6-16)23(27)28/h5-12,15,26H,13-14H2,1-4H3,(H,27,28)
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n/an/a 0.450n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 0.5n/an/an/an/an/an/a



Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA-Hl60 binding to Retinoic acid receptor gamma

Bioorg Med Chem Lett 10: 619-22 (2000)


BindingDB Entry DOI: 10.7270/Q23T9GFV
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 0.620n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor gamma

Bioorg Med Chem Lett 10: 623-5 (2000)


BindingDB Entry DOI: 10.7270/Q2028QSB
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 0.780n/an/an/an/an/an/a



Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA-Hl60 binding to Retinoic acid receptor alpha

Bioorg Med Chem Lett 10: 619-22 (2000)


BindingDB Entry DOI: 10.7270/Q23T9GFV
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 0.890n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor alpha

Bioorg Med Chem Lett 10: 623-5 (2000)


BindingDB Entry DOI: 10.7270/Q2028QSB
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 0.900n/an/an/an/an/an/a



Eisai Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA-Hl60 binding to Retinoic acid receptor beta

Bioorg Med Chem Lett 10: 619-22 (2000)


BindingDB Entry DOI: 10.7270/Q23T9GFV
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 0.940n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor beta

Bioorg Med Chem Lett 10: 623-5 (2000)


BindingDB Entry DOI: 10.7270/Q2028QSB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)		BDBM50037039
PNG
(2-Amino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothi...)
Show SMILES Cc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1
Show InChI InChI=1S/C15H15N3OS/c1-8-11(6-10-4-3-5-17-7-10)12-14(9(2)13(8)19)20-15(16)18-12/h3-5,7,19H,6H2,1-2H3,(H2,16,18)
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n/an/a 2n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat

J Med Chem 37: 3062-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WM1F2J
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50084832
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(cs1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O2S/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 2n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor gamma (RAR gamma)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50084835
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25N3O2/c1-22(2)11-12-23(3,4)20-19(22)24-13-18(26-20)17-10-9-16(25-17)14-5-7-15(8-6-14)21(27)28/h5-10,13,25H,11-12H2,1-4H3,(H,27,28)
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n/an/a 2.20n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50084832
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(cs1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O2S/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50084834
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(co1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 2.5n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50084830
PNG
(4-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1csc(n1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H23N3O2S/c1-21(2)9-10-22(3,4)18-17(21)23-11-15(24-18)16-12-28-19(25-16)13-5-7-14(8-6-13)20(26)27/h5-8,11-12H,9-10H2,1-4H3,(H,26,27)
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n/an/a 3.60n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor gamma (RAR gamma)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50116105
PNG
(3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
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n/an/a 4n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu...

J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50084832
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(cs1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O2S/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50084831
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-22(2)11-12-23(3,4)20-19(22)24-13-16(25-20)18-10-9-17(28-18)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27)
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n/an/a 4.60n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor gamma (RAR gamma)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50398565
PNG
(CHEMBL2179195)
Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(2.51,-41.6,;3.29,-42.93,;4.83,-42.92,;5.59,-41.58,;7.13,-41.58,;7.85,-40.22,;9.39,-40.17,;10.11,-38.82,;9.3,-37.51,;7.76,-37.56,;7.03,-38.92,;7.67,-43.03,;6.79,-44.29,;5.26,-44.32,;4.52,-45.67,;7.72,-45.51,;9.18,-45.01,;10.66,-45.45,;11.53,-44.19,;10.6,-42.96,;9.15,-43.47,;11.4,-46.8,;10.62,-48.12,;9.08,-48.09,;8.28,-49.41,;11.36,-49.46,;12.9,-49.49,;13.65,-50.84,;15.19,-50.87,;15.93,-52.21,;17.47,-52.24,;13.69,-48.17,;12.94,-46.82,;13.74,-45.5,;12.99,-44.16,)|
Show InChI InChI=1S/C26H37N3O5S/c1-6-8-11-28(19-9-12-34-13-10-19)24-25(32-5)27-29-20(17-35-26(24)29)23-21(30-3)14-18(16-33-7-2)15-22(23)31-4/h14-15,17,19H,6-13,16H2,1-5H3
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n/an/a 7.10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu...

J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50037037
PNG
(5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-be...)
Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1
Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)
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n/an/a 9n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets

J Med Chem 37: 3062-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WM1F2J
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420904
PNG
(CHEMBL2087550)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C24H28ClN3O/c1-3-21-24(27(14-16-7-8-16)15-17-9-10-17)23-6-4-5-22(28(23)26-21)19-12-11-18(29-2)13-20(19)25/h4-6,11-13,16-17H,3,7-10,14-15H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50037040
PNG
(2-Ethylamino-5,7-dimethyl-4-pyridin-3-ylmethyl-ben...)
Show SMILES CCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1
Show InChI InChI=1S/C17H19N3OS/c1-4-19-17-20-14-13(8-12-6-5-7-18-9-12)10(2)15(21)11(3)16(14)22-17/h5-7,9,21H,4,8H2,1-3H3,(H,19,20)
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n/an/a 10n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets

J Med Chem 37: 3062-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WM1F2J
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420906
PNG
(CHEMBL2087552)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(C)cc1OC
Show InChI InChI=1S/C25H31N3O/c1-4-21-25(27(15-18-9-10-18)16-19-11-12-19)23-7-5-6-22(28(23)26-21)20-13-8-17(2)14-24(20)29-3/h5-8,13-14,18-19H,4,9-12,15-16H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420908
PNG
(CHEMBL2087554)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1c(C)cc(OC)cc1C |(-4.21,2.14,;-3.44,.81,;-1.9,.81,;-.99,-.43,;.47,.05,;1.81,-.72,;3.14,.05,;3.13,1.59,;1.8,2.36,;.47,1.59,;-1,2.06,;-1.48,3.53,;-2.98,3.84,;-3.38,5.33,;-2.99,6.82,;-4.48,6.42,;-.45,4.67,;-.85,6.16,;-.45,7.65,;-1.94,7.25,;1.81,-2.26,;3.14,-3.03,;4.48,-2.25,;3.15,-4.57,;1.81,-5.34,;1.82,-6.88,;3.15,-7.65,;.48,-4.57,;.48,-3.03,;-.86,-2.26,)|
Show InChI InChI=1S/C26H33N3O/c1-5-22-26(28(15-19-9-10-19)16-20-11-12-20)24-8-6-7-23(29(24)27-22)25-17(2)13-21(30-4)14-18(25)3/h6-8,13-14,19-20H,5,9-12,15-16H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420909
PNG
(CHEMBL2087555)
Show SMILES CCCN(CCC)c1c(CC)nn2c(cccc12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H28ClN3O/c1-5-13-25(14-6-2)22-19(7-3)24-26-20(9-8-10-21(22)26)17-12-11-16(27-4)15-18(17)23/h8-12,15H,5-7,13-14H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420905
PNG
(CHEMBL2087551)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1C
Show InChI InChI=1S/C25H31N3O/c1-4-22-25(27(15-18-8-9-18)16-19-10-11-19)24-7-5-6-23(28(24)26-22)21-13-12-20(29-3)14-17(21)2/h5-7,12-14,18-19H,4,8-11,15-16H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50084829
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O2S/c1-22(2)11-12-23(3,4)20-19(22)24-13-16(25-20)18-10-9-17(28-18)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27)
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n/an/a 17n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor gamma (RAR gamma)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50084834
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(co1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 19n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420916
PNG
(CHEMBL2087562)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.41,;-3.7,.09,;-2.16,.1,;-1.25,-1.14,;.21,-.65,;1.55,-1.41,;2.88,-.63,;2.87,.91,;1.53,1.67,;.2,.89,;-1.27,1.35,;-1.75,2.81,;-.73,3.96,;.79,3.73,;2.22,4.3,;2,2.77,;-3.26,3.12,;-3.67,4.6,;-5.16,4.99,;-5.57,6.48,;-4.49,7.57,;-3,7.19,;-2.59,5.7,;1.57,-2.95,;2.91,-3.71,;4.23,-2.93,;5.57,-3.69,;2.92,-5.25,;1.59,-6.03,;1.6,-7.57,;.25,-5.27,;.24,-3.73,;-1.1,-2.97,;-2.43,-3.75,)|
Show InChI InChI=1S/C28H37N3O3/c1-5-22-28(30(17-20-9-10-20)18-21-11-13-34-14-12-21)24-8-6-7-23(31(24)29-22)27-25(32-3)15-19(2)16-26(27)33-4/h6-8,15-16,20-21H,5,9-14,17-18H2,1-4H3
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n/an/a 20n/an/an/an/an/an/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 cAMP accumulation after 30 mins by fluo...

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420912
PNG
(CHEMBL2087558)
Show SMILES CCc1nn2c(cccc2c1N(CCCF)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.75,1.19,;-3.97,-.14,;-2.43,-.13,;-1.52,-1.37,;-.06,-.88,;1.28,-1.65,;2.61,-.87,;2.6,.67,;1.26,1.43,;-.07,.66,;-1.54,1.12,;-2.02,2.58,;-1,3.74,;-1.56,5.17,;-.59,6.37,;-1.16,7.81,;-3.53,2.9,;-4.09,4.33,;-5.29,5.29,;-3.86,5.85,;1.29,-3.19,;-.04,-3.96,;-1.38,-3.2,;-.03,-5.5,;1.3,-6.27,;1.31,-7.81,;2.63,-5.49,;2.62,-3.95,;3.95,-3.17,;5.29,-3.93,)|
Show InChI InChI=1S/C25H32FN3O/c1-5-20-25(28(13-7-12-26)16-19-10-11-19)22-9-6-8-21(29(22)27-20)24-18(3)14-17(2)15-23(24)30-4/h6,8-9,14-15,19H,5,7,10-13,16H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50084830
PNG
(4-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1csc(n1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H23N3O2S/c1-21(2)9-10-22(3,4)18-17(21)23-11-15(24-18)16-12-28-19(25-16)13-5-7-14(8-6-13)20(26)27/h5-8,11-12H,9-10H2,1-4H3,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50084833
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H27NO2/c1-24(2)13-14-25(3,4)20-15-18(9-10-19(20)24)22-12-11-21(26-22)16-5-7-17(8-6-16)23(27)28/h5-12,15,26H,13-14H2,1-4H3,(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420915
PNG
(CHEMBL2087561)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(C)cc(C)cc1OC |(-4.15,-1.62,;-3.38,-.29,;-2.03,-.24,;-1.12,-1.48,;.34,-1,;1.68,-1.76,;3.01,-.99,;3,.55,;1.66,1.32,;.33,.54,;-1.13,1.01,;-1.62,2.47,;-3.13,2.78,;-4.21,1.69,;-5.69,1.28,;-4.6,.2,;-.59,3.62,;-1.15,5.05,;-.19,6.26,;-.75,7.69,;-2.27,7.92,;-3.23,6.72,;-2.67,5.29,;1.69,-3.3,;.36,-4.08,;-.98,-3.32,;.37,-5.62,;1.71,-6.38,;1.71,-7.92,;3.03,-5.61,;3.03,-4.07,;4.36,-3.29,;5.69,-4.05,)|
Show InChI InChI=1S/C28H37N3O2/c1-5-23-28(30(17-21-9-10-21)18-22-11-13-33-14-12-22)25-8-6-7-24(31(25)29-23)27-20(3)15-19(2)16-26(27)32-4/h6-8,15-16,21-22H,5,9-14,17-18H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420916
PNG
(CHEMBL2087562)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.41,;-3.7,.09,;-2.16,.1,;-1.25,-1.14,;.21,-.65,;1.55,-1.41,;2.88,-.63,;2.87,.91,;1.53,1.67,;.2,.89,;-1.27,1.35,;-1.75,2.81,;-.73,3.96,;.79,3.73,;2.22,4.3,;2,2.77,;-3.26,3.12,;-3.67,4.6,;-5.16,4.99,;-5.57,6.48,;-4.49,7.57,;-3,7.19,;-2.59,5.7,;1.57,-2.95,;2.91,-3.71,;4.23,-2.93,;5.57,-3.69,;2.92,-5.25,;1.59,-6.03,;1.6,-7.57,;.25,-5.27,;.24,-3.73,;-1.1,-2.97,;-2.43,-3.75,)|
Show InChI InChI=1S/C28H37N3O3/c1-5-22-28(30(17-20-9-10-20)18-21-11-13-34-14-12-21)24-8-6-7-23(31(24)29-22)27-25(32-3)15-19(2)16-26(27)33-4/h6-8,15-16,20-21H,5,9-14,17-18H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420920
PNG
(CHEMBL2087549 | CHEMBL2087567)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)|
Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3
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n/an/a 23n/an/an/an/an/an/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 cAMP accumulation after 30 mins by fluo...

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420907
PNG
(CHEMBL2087553)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.21,1.75,;-3.44,.42,;-1.9,.42,;-.99,-.82,;.48,-.34,;1.81,-1.1,;3.14,-.32,;3.14,1.22,;1.8,1.98,;.47,1.2,;-1,1.67,;-1.48,3.14,;-2.99,3.45,;-3.39,4.94,;-3,6.43,;-4.49,6.02,;-.45,4.29,;-.86,5.77,;-.47,7.26,;-1.95,6.86,;1.82,-2.64,;3.16,-3.4,;4.49,-2.63,;3.16,-4.94,;1.83,-5.72,;1.84,-7.26,;.5,-4.96,;.49,-3.42,;-.85,-2.65,;-2.18,-3.43,)|
Show InChI InChI=1S/C26H33N3O/c1-5-21-26(28(15-19-9-10-19)16-20-11-12-20)23-8-6-7-22(29(23)27-21)25-18(3)13-17(2)14-24(25)30-4/h6-8,13-14,19-20H,5,9-12,15-16H2,1-4H3
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n/an/a 24n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420930
PNG
(CHEMBL2087795)
Show SMILES COc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.44,;-3.71,.1,;-2.17,.1,;-1.27,-1.14,;.2,-.67,;1.53,-1.44,;2.87,-.67,;2.87,.87,;1.53,1.64,;.2,.87,;-1.27,1.35,;-1.74,2.81,;-.71,3.96,;.81,3.72,;2.25,4.27,;2.01,2.75,;-3.25,3.13,;-3.65,4.62,;-5.13,5.02,;-5.53,6.51,;-4.44,7.6,;-2.96,7.2,;-2.56,5.71,;1.53,-2.98,;2.86,-3.75,;4.2,-2.98,;5.53,-3.75,;2.86,-5.29,;1.53,-6.06,;1.53,-7.6,;.2,-5.29,;.2,-3.75,;-1.14,-2.98,;-2.47,-3.75,)|
Show InChI InChI=1S/C27H35N3O4/c1-18-14-23(31-2)25(24(15-18)32-3)21-6-5-7-22-26(27(33-4)28-30(21)22)29(16-19-8-9-19)17-20-10-12-34-13-11-20/h5-7,14-15,19-20H,8-13,16-17H2,1-4H3
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n/an/a 25n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50084834
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(co1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
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n/an/a 27n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor gamma (RAR gamma)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420935
PNG
(CHEMBL2087799)
Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3COCCO3)c(SC)nn12 |(2.79,-8.78,;2.8,-7.24,;1.47,-6.46,;1.48,-4.92,;2.82,-4.16,;2.83,-2.62,;4.17,-1.86,;5.5,-2.64,;1.5,-1.84,;.16,-2.6,;-1.17,-1.82,;-2.5,-2.58,;.15,-4.14,;1.51,-.3,;2.85,.46,;2.86,2,;1.53,2.78,;.19,2.02,;-1.27,2.51,;-1.73,3.98,;-.69,5.11,;.83,4.86,;2.27,5.4,;2.02,3.88,;-3.24,4.31,;-3.62,5.8,;-2.53,6.88,;-2.92,8.37,;-4.4,8.78,;-5.5,7.7,;-5.11,6.21,;-2.18,1.27,;-3.72,1.28,;-4.48,2.62,;-1.28,.02,;.18,.48,)|
Show InChI InChI=1S/C27H35N3O5S/c1-31-16-19-12-23(32-2)25(24(13-19)33-3)21-6-5-7-22-26(27(36-4)28-30(21)22)29(14-18-8-9-18)15-20-17-34-10-11-35-20/h5-7,12-13,18,20H,8-11,14-17H2,1-4H3
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n/an/a 27n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420927
PNG
(CHEMBL2087574)
Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(SC)nn12 |(2.74,-8.79,;2.75,-7.25,;1.43,-6.47,;1.45,-4.93,;2.79,-4.17,;2.81,-2.63,;4.15,-1.88,;5.47,-2.66,;1.48,-1.85,;.14,-2.6,;-1.18,-1.82,;-2.53,-2.57,;.12,-4.14,;1.5,-.31,;2.84,.45,;2.86,1.99,;1.53,2.77,;.19,2.02,;-1.27,2.51,;-1.73,3.98,;-.68,5.11,;.84,4.85,;2.28,5.39,;2.02,3.87,;-3.23,4.32,;-3.61,5.81,;-5.09,6.22,;-5.47,7.72,;-4.37,8.79,;-2.89,8.38,;-2.51,6.89,;-2.19,1.27,;-3.73,1.29,;-4.48,2.63,;-1.29,.02,;.18,.48,)|
Show InChI InChI=1S/C28H37N3O4S/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(36-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-35-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3
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n/an/a 30n/an/an/an/an/an/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 cAMP accumulation after 30 mins by fluo...

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50037044
PNG
(4-[(6-Hydroxy-4,5,7-trimethyl-benzothiazol-2-ylami...)
Show SMILES Cc1c(C)c2nc(NCc3ccc(cc3)S(N)(=O)=O)sc2c(C)c1O
Show InChI InChI=1S/C17H19N3O3S2/c1-9-10(2)15(21)11(3)16-14(9)20-17(24-16)19-8-12-4-6-13(7-5-12)25(18,22)23/h4-7,21H,8H2,1-3H3,(H,19,20)(H2,18,22,23)
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n/an/a 30n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against leukotriene B4 (LTB4) receptor in human neutrophils

J Med Chem 37: 3062-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WM1F2J
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50099474
PNG
(4-[5-(8-Isopropyl-4-phenyl-quinolin-2-yl)-1H-pyrro...)
Show SMILES CC(C)c1cccc2c(cc(nc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C29H24N2O2/c1-18(2)22-9-6-10-23-24(19-7-4-3-5-8-19)17-27(31-28(22)23)26-16-15-25(30-26)20-11-13-21(14-12-20)29(32)33/h3-18,30H,1-2H3,(H,32,33)
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n/an/a 31n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was evaluated in terms of inhibition of Retinoic acid receptor alpha transactivation by ATRA (50 nM)

Bioorg Med Chem Lett 11: 1215-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M3643
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50084831
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-22(2)11-12-23(3,4)20-19(22)24-13-16(25-20)18-10-9-17(28-18)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27)
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n/an/a 32n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420914
PNG
(CHEMBL2087560)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCCO1)-c1c(C)cc(C)cc1OC |(-4.19,-1.4,;-3.42,-.06,;-1.88,-.05,;-.97,-1.29,;.49,-.81,;1.83,-1.57,;3.16,-.8,;3.15,.74,;1.81,1.51,;.48,.73,;-.98,1.2,;-1.47,2.66,;-2.98,2.97,;-4.3,2.19,;-5.07,.86,;-5.84,2.18,;-.44,3.81,;-1,5.24,;-2.49,5.64,;-2.58,7.17,;-1.15,7.73,;-.17,6.54,;1.84,-3.11,;.51,-3.89,;-.83,-3.13,;.52,-5.43,;1.86,-6.19,;1.86,-7.73,;3.19,-5.42,;3.18,-3.88,;4.51,-3.1,;5.84,-3.86,)|
Show InChI InChI=1S/C27H35N3O2/c1-5-22-27(29(16-20-11-12-20)17-21-8-7-13-32-21)24-10-6-9-23(30(24)28-22)26-19(3)14-18(2)15-25(26)31-4/h6,9-10,14-15,20-21H,5,7-8,11-13,16-17H2,1-4H3
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n/an/a 34n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420937
PNG
(CHEMBL2087801)
Show SMILES COCCN(CC1CCOCC1)c1c(SC)nn2c(cccc12)-c1c(OC)cc(COC)cc1OC |(-3.55,8.8,;-3.16,7.31,;-4.26,6.23,;-3.88,4.74,;-2.37,4.4,;-1.02,5.88,;.5,5.63,;1.04,4.18,;2.56,3.93,;3.54,5.12,;3,6.56,;1.48,6.81,;-1.77,2.49,;-2.69,1.26,;-4.23,1.27,;-4.99,2.61,;-1.79,0,;-.32,.47,;1,-.32,;2.34,.44,;2.36,1.98,;1.03,2.76,;-.31,2.01,;.99,-1.86,;2.32,-2.64,;3.66,-1.88,;4.99,-2.66,;2.3,-4.18,;.96,-4.94,;.95,-6.48,;2.28,-7.26,;2.27,-8.8,;-.36,-4.15,;-.35,-2.61,;-1.68,-1.83,;-3.02,-2.59,)|
Show InChI InChI=1S/C27H37N3O5S/c1-31-14-11-29(17-19-9-12-35-13-10-19)26-22-8-6-7-21(30(22)28-27(26)36-5)25-23(33-3)15-20(18-32-2)16-24(25)34-4/h6-8,15-16,19H,9-14,17-18H2,1-5H3
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n/an/a 34n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420927
PNG
(CHEMBL2087574)
Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(SC)nn12 |(2.74,-8.79,;2.75,-7.25,;1.43,-6.47,;1.45,-4.93,;2.79,-4.17,;2.81,-2.63,;4.15,-1.88,;5.47,-2.66,;1.48,-1.85,;.14,-2.6,;-1.18,-1.82,;-2.53,-2.57,;.12,-4.14,;1.5,-.31,;2.84,.45,;2.86,1.99,;1.53,2.77,;.19,2.02,;-1.27,2.51,;-1.73,3.98,;-.68,5.11,;.84,4.85,;2.28,5.39,;2.02,3.87,;-3.23,4.32,;-3.61,5.81,;-5.09,6.22,;-5.47,7.72,;-4.37,8.79,;-2.89,8.38,;-2.51,6.89,;-2.19,1.27,;-3.73,1.29,;-4.48,2.63,;-1.29,.02,;.18,.48,)|
Show InChI InChI=1S/C28H37N3O4S/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(36-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-35-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3
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n/an/a 35n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50084829
PNG
(4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quino...)
Show SMILES CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(s1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O2S/c1-22(2)11-12-23(3,4)20-19(22)24-13-16(25-20)18-10-9-17(28-18)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27)
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n/an/a 36n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic Acid Receptor beta (RAR beta)

J Med Chem 43: 409-19 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P4M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420913
PNG
(CHEMBL2087559)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOC1)-c1c(C)cc(C)cc1OC |(-4.51,-1.39,;-3.74,-.05,;-2.2,-.05,;-1.3,-1.28,;.17,-.81,;1.5,-1.58,;2.83,-.81,;2.83,.73,;1.5,1.5,;.17,.73,;-1.3,1.21,;-1.78,2.67,;-3.5,2.95,;-4.3,4.26,;-5.81,4.72,;-4.41,5.79,;-.69,3.76,;-1.09,5.25,;-2.52,5.8,;-2.44,7.34,;-.96,7.74,;-.12,6.44,;1.51,-3.12,;.17,-3.89,;-1.16,-3.12,;.17,-5.43,;1.51,-6.2,;1.51,-7.74,;2.84,-5.42,;2.85,-3.89,;4.18,-3.12,;5.51,-3.89,)|
Show InChI InChI=1S/C27H35N3O2/c1-5-22-27(29(15-20-9-10-20)16-21-11-12-32-17-21)24-8-6-7-23(30(24)28-22)26-19(3)13-18(2)14-25(26)31-4/h6-8,13-14,20-21H,5,9-12,15-17H2,1-4H3
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n/an/a 38n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50420931
PNG
(CHEMBL2087796)
Show SMILES COc1cc(C)cc(OC)c1-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(SC)nn12 |(5.46,-3.84,;4.14,-3.05,;2.8,-3.8,;2.78,-5.34,;1.43,-6.1,;1.41,-7.64,;.11,-5.31,;.13,-3.77,;-1.19,-2.98,;-2.54,-3.73,;1.47,-3.02,;1.49,-1.48,;2.84,-.72,;2.86,.82,;1.54,1.6,;.19,.85,;-1.27,1.35,;-1.72,2.82,;-.68,3.95,;.84,3.69,;2.29,4.22,;2.02,2.7,;-3.23,3.16,;-3.6,4.65,;-5.09,5.07,;-5.46,6.56,;-4.36,7.64,;-2.88,7.22,;-2.5,5.72,;-2.19,.11,;-3.73,.13,;-4.48,1.48,;-1.3,-1.15,;.17,-.69,)|
Show InChI InChI=1S/C27H35N3O3S/c1-18-14-23(31-2)25(24(15-18)32-3)21-6-5-7-22-26(27(34-4)28-30(21)22)29(16-19-8-9-19)17-20-10-12-33-13-11-20/h5-7,14-15,19-20H,8-13,16-17H2,1-4H3
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n/an/a 39n/an/an/an/an/an/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 cAMP accumulation after 30 mins by fluo...

J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
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