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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'charpentier' and Initial = 'b'   
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
Cholecystokinin receptor


(Mus musculus-MOUSE)
BDBM50016425
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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0.191n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 962-8 (1987)


BindingDB Entry DOI: 10.7270/Q21J98R1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50016425
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Mus musculus-MOUSE)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.491n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 962-8 (1987)


BindingDB Entry DOI: 10.7270/Q21J98R1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018060
PNG
(Boc-cyclo-(gama-D-Glu-Tyr(SO3H)-Nle-D-Lys)-Trp-Nle...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@@H](CCC(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H83N11O17S/c1-6-8-20-42-54(78)66-44(23-15-16-30-63-53(77)45(72-60(84)88-61(3,4)5)28-29-50(73)65-47(57(81)67-42)32-37-24-26-39(27-25-37)89-90(85,86)87)56(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(82)68-43(21-9-7-2)55(79)71-49(34-51(74)75)59(83)69-46(52(62)76)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,76)(H,63,77)(H,65,73)(H,66,78)(H,67,81)(H,68,82)(H,69,83)(H,70,80)(H,71,79)(H,72,84)(H,74,75)(H,85,86,87)/t42-,43-,44-,45+,46+,47+,48-,49-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [3H]-pCCK-8 from guinea pig pancreatic membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016425
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [3H]-pCCK-8 from guinea pig pancreatic membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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2n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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3n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(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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3n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50016425
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...


J Med Chem 30: 962-8 (1987)


BindingDB Entry DOI: 10.7270/Q21J98R1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018066
PNG
(Boc-cyclo-(gama-D-Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-P...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@@H](CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H83N11O14/c1-6-8-20-42-54(79)66-44(23-15-16-30-63-53(78)45(72-60(85)86-61(3,4)5)28-29-50(74)65-47(57(82)67-42)32-37-24-26-39(73)27-25-37)56(81)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)68-43(21-9-7-2)55(80)71-49(34-51(75)76)59(84)69-46(52(62)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64,73H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,77)(H,63,78)(H,65,74)(H,66,79)(H,67,82)(H,68,83)(H,69,84)(H,70,81)(H,71,80)(H,72,85)(H,75,76)/t42-,43-,44-,45+,46+,47+,48-,49-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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5n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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5n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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5.30n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018064
PNG
(Boc-cyclo-(Asp-Tyr(SO3H)-Nle-D-Lys)-Trp-Nle-Asp-Ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C60H81N11O17S/c1-6-8-20-41-52(76)64-43(23-15-16-28-62-49(72)32-47(71-59(83)87-60(3,4)5)57(81)68-45(55(79)65-41)30-36-24-26-38(27-25-36)88-89(84,85)86)54(78)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(80)66-42(21-9-7-2)53(77)70-48(33-50(73)74)58(82)67-44(51(61)75)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33H2,1-5H3,(H2,61,75)(H,62,72)(H,64,76)(H,65,79)(H,66,80)(H,67,82)(H,68,81)(H,69,78)(H,70,77)(H,71,83)(H,73,74)(H,84,85,86)/t41-,42-,43-,44+,45+,46-,47-,48-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(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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7n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...


J Med Chem 30: 962-8 (1987)


BindingDB Entry DOI: 10.7270/Q21J98R1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018067
PNG
(Boc-cyclo-(D-Glu-Tyr(SO3H)-Nle-D-Lys)-Trp-Nle-Asp-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H83N11O17S/c1-6-8-20-42-53(77)65-44(23-15-16-30-63-50(73)29-28-45(72-60(84)88-61(3,4)5)56(80)69-47(57(81)66-42)32-37-24-26-39(27-25-37)89-90(85,86)87)55(79)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(82)67-43(21-9-7-2)54(78)71-49(34-51(74)75)59(83)68-46(52(62)76)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,76)(H,63,73)(H,65,77)(H,66,81)(H,67,82)(H,68,83)(H,69,80)(H,70,79)(H,71,78)(H,72,84)(H,74,75)(H,85,86,87)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048295
PNG
(4-[(E)-2-(3-tert-Butyl-4-methoxy-phenyl)-propenyl]...)
Show SMILES COc1ccc(cc1C(C)(C)C)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H24O3/c1-14(12-15-6-8-16(9-7-15)20(22)23)17-10-11-19(24-5)18(13-17)21(2,3)4/h6-13H,1-5H3,(H,22,23)/b14-12+
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12n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048281
PNG
(5',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro-[2,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-19(9-10-21(22)24)17-5-6-18-14-20(23(26)27)8-7-16(18)13-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048295
PNG
(4-[(E)-2-(3-tert-Butyl-4-methoxy-phenyl)-propenyl]...)
Show SMILES COc1ccc(cc1C(C)(C)C)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H24O3/c1-14(12-15-6-8-16(9-7-15)20(22)23)17-10-11-19(24-5)18(13-17)21(2,3)4/h6-13H,1-5H3,(H,22,23)/b14-12+
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13n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048281
PNG
(5',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro-[2,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-19(9-10-21(22)24)17-5-6-18-14-20(23(26)27)8-7-16(18)13-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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13n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/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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16n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048285
PNG
(4-{(E)-2-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES COc1ccc(cc1C1(C)CCCCC1)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+
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17n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290081
PNG
(3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1=Cc2ccc(cc2OC1)C(O)=O |t:16|
Show InChI InChI=1S/C24H26O3/c1-23(2)9-10-24(3,4)20-12-15(7-8-19(20)23)18-11-16-5-6-17(22(25)26)13-21(16)27-14-18/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26)
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048278
PNG
(4-[(E)-2-(3-Adamantan-1-yl-4-hydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc(\C=C\c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:20:17:24.22.23,21:22:17:25.20.19|
Show InChI InChI=1S/C25H26O3/c26-23-8-5-17(2-1-16-3-6-21(7-4-16)24(27)28)12-22(23)25-13-18-9-19(14-25)11-20(10-18)15-25/h1-8,12,18-20,26H,9-11,13-15H2,(H,27,28)/b2-1+
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20n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032219
PNG
((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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21n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50048284
PNG
(6-[3-Adamantan-1-yl-4-(3-hydroxy-propyl)-phenyl]-n...)
Show SMILES OCCCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:13:14:18:11.12.17,17:16:19:11.12.13,17:12:19:18.16.15,THB:13:12:18:19.14.15|
Show InChI InChI=1S/C30H32O3/c31-9-1-2-22-3-4-26(24-5-6-25-14-27(29(32)33)8-7-23(25)13-24)15-28(22)30-16-19-10-20(17-30)12-21(11-19)18-30/h3-8,13-15,19-21,31H,1-2,9-12,16-18H2,(H,32,33)
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21n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048292
PNG
(6-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl]-napht...)
Show SMILES COc1ccc(cc1C1(C)CCCCC1)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26O3/c1-25(12-4-3-5-13-25)22-16-20(10-11-23(22)28-2)18-6-7-19-15-21(24(26)27)9-8-17(19)14-18/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,26,27)
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26n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048293
PNG
(4-{(E)-2-[4-Hydroxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C1(C)CCCCC1
Show InChI InChI=1S/C23H26O3/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-21(24)20(15-19)23(2)12-4-3-5-13-23/h6-11,14-15,24H,3-5,12-13H2,1-2H3,(H,25,26)/b16-14+
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27n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018063
PNG
(Boc-cyclo-(D-Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H83N11O14/c1-6-8-20-42-53(78)65-44(23-15-16-30-63-50(74)29-28-45(72-60(85)86-61(3,4)5)56(81)69-47(57(82)66-42)32-37-24-26-39(73)27-25-37)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(62)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64,73H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,77)(H,63,74)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,75,76)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1
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28n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048285
PNG
(4-{(E)-2-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES COc1ccc(cc1C1(C)CCCCC1)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+
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29n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018062
PNG
(Boc-cyclo-(Glu-Tyr(SO3H)-Nle-D-Lys)-Trp-Nle-Asp-Ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H83N11O17S/c1-6-8-20-42-53(77)65-44(23-15-16-30-63-50(73)29-28-45(72-60(84)88-61(3,4)5)56(80)69-47(57(81)66-42)32-37-24-26-39(27-25-37)89-90(85,86)87)55(79)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(82)67-43(21-9-7-2)54(78)71-49(34-51(74)75)59(83)68-46(52(62)76)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,76)(H,63,73)(H,65,77)(H,66,81)(H,67,82)(H,68,83)(H,69,80)(H,70,79)(H,71,78)(H,72,84)(H,74,75)(H,85,86,87)/t42-,43-,44-,45+,46-,47+,48-,49-/m0/s1
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29n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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34n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048289
PNG
(6-[3-Adamantan-1-yl-4-(2,3-dihydroxy-propyl)-pheny...)
Show SMILES OCC(O)Cc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:14:15:19:12.13.18,THB:14:13:19:20.15.16,16:15:12:19.17.18,16:17:12:20.15.14|
Show InChI InChI=1S/C30H32O4/c31-17-27(32)12-25-5-3-24(22-1-2-23-11-26(29(33)34)6-4-21(23)10-22)13-28(25)30-14-18-7-19(15-30)9-20(8-18)16-30/h1-6,10-11,13,18-20,27,31-32H,7-9,12,14-17H2,(H,33,34)
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34n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048279
PNG
(6-(3-tert-Butyl-4-methoxy-phenyl)-naphthalene-2-ca...)
Show SMILES COc1ccc(cc1C(C)(C)C)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C22H22O3/c1-22(2,3)19-13-17(9-10-20(19)25-4)15-5-6-16-12-18(21(23)24)8-7-14(16)11-15/h5-13H,1-4H3,(H,23,24)
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36n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290081
PNG
(3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1=Cc2ccc(cc2OC1)C(O)=O |t:16|
Show InChI InChI=1S/C24H26O3/c1-23(2)9-10-24(3,4)20-12-15(7-8-19(20)23)18-11-16-5-6-17(22(25)26)13-21(16)27-14-18/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26)
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36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048281
PNG
(5',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro-[2,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-19(9-10-21(22)24)17-5-6-18-14-20(23(26)27)8-7-16(18)13-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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40n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048281
PNG
(5',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro-[2,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-19(9-10-21(22)24)17-5-6-18-14-20(23(26)27)8-7-16(18)13-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018068
PNG
(Boc-cyclo-(Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2 ...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H83N11O14/c1-6-8-20-42-53(78)65-44(23-15-16-30-63-50(74)29-28-45(72-60(85)86-61(3,4)5)56(81)69-47(57(82)66-42)32-37-24-26-39(73)27-25-37)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(62)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64,73H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,77)(H,63,74)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,75,76)/t42-,43-,44-,45+,46-,47+,48-,49-/m0/s1
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47n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048276
PNG
(4-[(E)-2-(3-Adamantan-1-yl-4-hydroxy-phenyl)-prope...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:25:28:20.21.22,26:21:28:27.25.24,THB:24:25:20:28.23.22,24:23:20:27.25.26|
Show InChI InChI=1S/C26H28O3/c1-16(8-17-2-4-21(5-3-17)25(28)29)22-6-7-24(27)23(12-22)26-13-18-9-19(14-26)11-20(10-18)15-26/h2-8,12,18-20,27H,9-11,13-15H2,1H3,(H,28,29)/b16-8+
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53n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50018057
PNG
(Boc-D-Glu-Tyr(SO3H)-Nle-D-Nle-Trp-Nle-Asp-Phe-NH2 ...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H84N10O18S/c1-7-10-21-42(65-57(81)47(32-37-25-27-39(28-26-37)89-90(85,86)87)68-56(80)45(29-30-50(72)73)71-60(84)88-61(4,5)6)53(77)64-43(22-11-8-2)54(78)69-48(33-38-35-63-41-24-17-16-20-40(38)41)58(82)66-44(23-12-9-3)55(79)70-49(34-51(74)75)59(83)67-46(52(62)76)31-36-18-14-13-15-19-36/h13-20,24-28,35,42-49,63H,7-12,21-23,29-34H2,1-6H3,(H2,62,76)(H,64,77)(H,65,81)(H,66,82)(H,67,83)(H,68,80)(H,69,78)(H,70,79)(H,71,84)(H,72,73)(H,74,75)(H,85,86,87)/t42-,43-,44-,45+,46-,47-,48-,49-/m0/s1
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54n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048278
PNG
(4-[(E)-2-(3-Adamantan-1-yl-4-hydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc(\C=C\c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:20:17:24.22.23,21:22:17:25.20.19|
Show InChI InChI=1S/C25H26O3/c26-23-8-5-17(2-1-16-3-6-21(7-4-16)24(27)28)12-22(23)25-13-18-9-19(14-25)11-20(10-18)15-25/h1-8,12,18-20,26H,9-11,13-15H2,(H,27,28)/b2-1+
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70n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290082
PNG
(3-(3-Adamantan-1-yl-4-methoxy-phenyl)-2H-chromene-...)
Show SMILES COc1ccc(cc1C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C1=Cc2ccc(cc2OC1)C(O)=O |t:22,TLB:15:10:17:16.14.13,15:14:17:9.10.11|
Show InChI InChI=1S/C27H28O4/c1-30-24-5-4-19(22-9-20-2-3-21(26(28)29)11-25(20)31-15-22)10-23(24)27-12-16-6-17(13-27)8-18(7-16)14-27/h2-5,9-11,16-18H,6-8,12-15H2,1H3,(H,28,29)/t16-,17+,18-,27?
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048284
PNG
(6-[3-Adamantan-1-yl-4-(3-hydroxy-propyl)-phenyl]-n...)
Show SMILES OCCCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:13:14:18:11.12.17,17:16:19:11.12.13,17:12:19:18.16.15,THB:13:12:18:19.14.15|
Show InChI InChI=1S/C30H32O3/c31-9-1-2-22-3-4-26(24-5-6-25-14-27(29(32)33)8-7-23(25)13-24)15-28(22)30-16-19-10-20(17-30)12-21(11-19)18-30/h3-8,13-15,19-21,31H,1-2,9-12,16-18H2,(H,32,33)
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72n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048291
PNG
(6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...)
Show SMILES OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:18:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
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77n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048290
PNG
(4-[(E)-2-(3-tert-Butyl-4-hydroxy-phenyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C20H22O3/c1-13(11-14-5-7-15(8-6-14)19(22)23)16-9-10-18(21)17(12-16)20(2,3)4/h5-12,21H,1-4H3,(H,22,23)/b13-11+
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85n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048297
PNG
(6-[3-Adamantan-1-yl-4-(2,3-dihydroxy-propoxy)-phen...)
Show SMILES OCC(O)COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:15:16:20:13.14.19,THB:15:14:20:21.16.17,17:16:13:20.18.19,17:18:13:21.16.15|
Show InChI InChI=1S/C30H32O5/c31-16-26(32)17-35-28-6-5-24(22-1-2-23-11-25(29(33)34)4-3-21(23)10-22)12-27(28)30-13-18-7-19(14-30)9-20(8-18)15-30/h1-6,10-12,18-20,26,31-32H,7-9,13-17H2,(H,33,34)
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89n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
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