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Compile Data Set for Download or QSAR

Found 369 hits with Last Name = 'rimele' and Initial = 't'   
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
Gastrin/cholecystokinin type B 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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n/an/a 0.316n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B 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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n/an/a 0.320n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor stably expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B 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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n/an/a 0.350n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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n/an/a 0.398n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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n/an/a 0.630n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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n/an/a 1.30n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50453648
PNG
(CHEMBL63707)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C40H47ClN8O8/c1-23-14-16-25(17-15-23)19-32(36(42)53)47-39(56)34(21-35(51)52)48-37(54)31(13-7-8-18-43-40(57)49-30-12-6-4-10-28(30)41)46-38(55)33(45-24(2)50)20-26-22-44-29-11-5-3-9-27(26)29/h3-6,9-12,14-17,22,31-34,44H,7-8,13,18-21H2,1-2H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t31?,32-,33+,34+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Mus musculus)		BDBM50044874
PNG
(CHEMBL3311302)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse FFA4 receptor expressed in U2OS cells

Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Rattus norvegicus)		BDBM50044874
PNG
(CHEMBL3311302)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat FFA4 receptor expressed in U2OS cells

Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422155
PNG
(CHEMBL443825)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(O)cc1
Show InChI InChI=1S/C33H31N5O5/c1-22(2)37(25-17-19-26(39)20-18-25)29(40)21-36-27-15-9-10-16-28(27)38(24-13-7-4-8-14-24)32(42)30(31(36)41)35-33(43)34-23-11-5-3-6-12-23/h3-20,22,30,39H,21H2,1-2H3,(H2,34,35,43)
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n/an/a 16n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50453649
PNG
(CHEMBL304524)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C41H50N8O8/c1-24-15-17-27(18-16-24)20-33(37(42)53)47-40(56)35(22-36(51)52)48-38(54)32(14-8-9-19-43-41(57)49-30-12-6-4-10-25(30)2)46-39(55)34(45-26(3)50)21-28-23-44-31-13-7-5-11-29(28)31/h4-7,10-13,15-18,23,32-35,44H,8-9,14,19-22H2,1-3H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t32?,33-,34+,35+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50072427
PNG
(1-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-d...)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C33H31N5O4/c1-23(2)37(25-16-8-4-9-17-25)29(39)22-36-27-20-12-13-21-28(27)38(26-18-10-5-11-19-26)32(41)30(31(36)40)35-33(42)34-24-14-6-3-7-15-24/h3-21,23,30H,22H2,1-2H3,(H2,34,35,42)
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n/an/a 24n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50072427
PNG
(1-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-d...)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C33H31N5O4/c1-23(2)37(25-16-8-4-9-17-25)29(39)22-36-27-20-12-13-21-28(27)38(26-18-10-5-11-19-26)32(41)30(31(36)40)35-33(42)34-24-14-6-3-7-15-24/h3-21,23,30H,22H2,1-2H3,(H2,34,35,42)
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n/an/a 25n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422157
PNG
(CHEMBL345786)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C33H30FN5O4/c1-22(2)38(26-19-17-23(34)18-20-26)29(40)21-37-27-15-9-10-16-28(27)39(25-13-7-4-8-14-25)32(42)30(31(37)41)36-33(43)35-24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3,(H2,35,36,43)
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n/an/a 32n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50407325
PNG
(CHEMBL408395)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-12-14-28(15-13-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-16-18-31(19-17-29)48-44(60)52-33-10-6-4-8-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-11-7-5-9-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50422150
PNG
(CHEMBL262444)
Show SMILES CCC1(CC(=O)Nc2ccccc2)C(=O)N(CC(=O)N(C(C)C)c2ccccc2)c2ccccc2N(c2ccccc2)C1=O
Show InChI InChI=1S/C36H36N4O4/c1-4-36(24-32(41)37-27-16-8-5-9-17-27)34(43)38(25-33(42)39(26(2)3)28-18-10-6-11-19-28)30-22-14-15-23-31(30)40(35(36)44)29-20-12-7-13-21-29/h5-23,26H,4,24-25H2,1-3H3,(H,37,41)
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n/an/a 36n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50422155
PNG
(CHEMBL443825)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(O)cc1
Show InChI InChI=1S/C33H31N5O5/c1-22(2)37(25-17-19-26(39)20-18-25)29(40)21-36-27-15-9-10-16-28(27)38(24-13-7-4-8-14-24)32(42)30(31(36)41)35-33(43)34-23-11-5-3-6-12-23/h3-20,22,30,39H,21H2,1-2H3,(H2,34,35,43)
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n/an/a 40n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159550
PNG
(CHEMBL3785336)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)CCCN(CCO)CCO)C(C)(C)C
Show InChI InChI=1S/C36H50N4O9S/c1-36(2,3)26-24-30(34(47-4)31(25-26)38-50(45,46)23-7-12-39(13-18-41)14-19-42)37-35(44)33(43)29-10-11-32(28-9-6-5-8-27(28)29)49-22-17-40-15-20-48-21-16-40/h5-6,8-11,24-25,38,41-42H,7,12-23H2,1-4H3,(H,37,44)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422156
PNG
(CHEMBL346179)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(26-19-17-23(18-20-26)33(43)44)29(40)21-37-27-15-9-10-16-28(27)39(25-13-7-4-8-14-25)32(42)30(31(37)41)36-34(45)35-24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)
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n/an/a 40n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50072425
PNG
(2-[2,4-Dioxo-5-phenyl-3-(3-phenyl-ureido)-2,3,4,5-...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
Show InChI InChI=1S/C34H33N5O5/c1-23(2)38(26-18-20-27(44-3)21-19-26)30(40)22-37-28-16-10-11-17-29(28)39(25-14-8-5-9-15-25)33(42)31(32(37)41)36-34(43)35-24-12-6-4-7-13-24/h4-21,23,31H,22H2,1-3H3,(H2,35,36,43)
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n/an/a 50n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50072427
PNG
(1-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-d...)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C33H31N5O4/c1-23(2)37(25-16-8-4-9-17-25)29(39)22-36-27-20-12-13-21-28(27)38(26-18-10-5-11-19-26)32(41)30(31(36)40)35-33(42)34-24-14-6-3-7-15-24/h3-21,23,30H,22H2,1-2H3,(H2,34,35,42)
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n/an/a 50n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159554
PNG
(CHEMBL3787085)
Show SMILES CCCS(=O)(=O)Nc1cc(cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C32H41N3O7S/c1-6-19-43(38,39)34-27-21-22(32(2,3)4)20-26(30(27)40-5)33-31(37)29(36)25-11-12-28(24-10-8-7-9-23(24)25)42-18-15-35-13-16-41-17-14-35/h7-12,20-21,34H,6,13-19H2,1-5H3,(H,33,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159548
PNG
(CHEMBL3785750)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)CCCNC(CO)(CO)CO)C(C)(C)C
Show InChI InChI=1S/C36H50N4O10S/c1-35(2,3)25-20-29(33(48-4)30(21-25)39-51(46,47)19-7-12-37-36(22-41,23-42)24-43)38-34(45)32(44)28-10-11-31(27-9-6-5-8-26(27)28)50-18-15-40-13-16-49-17-14-40/h5-6,8-11,20-21,37,39,41-43H,7,12-19,22-24H2,1-4H3,(H,38,45)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159533
PNG
(CHEMBL3786653)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCNC(=O)CN)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C28H34N4O7S/c1-28(2,3)17-14-21(26(38-4)22(15-17)32-40(5,36)37)31-27(35)25(34)20-10-11-23(19-9-7-6-8-18(19)20)39-13-12-30-24(33)16-29/h6-11,14-15,32H,12-13,16,29H2,1-5H3,(H,30,33)(H,31,35)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159545
PNG
(CHEMBL3785828)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C32H41N3O7S/c1-32(2,3)22-20-26(30(40-4)27(21-22)34-43(5,38)39)33-31(37)29(36)25-12-13-28(24-11-7-6-10-23(24)25)42-17-9-8-14-35-15-18-41-19-16-35/h6-7,10-13,20-21,34H,8-9,14-19H2,1-5H3,(H,33,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50072427
PNG
(1-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-d...)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C33H31N5O4/c1-23(2)37(25-16-8-4-9-17-25)29(39)22-36-27-20-12-13-21-28(27)38(26-18-10-5-11-19-26)32(41)30(31(36)40)35-33(42)34-24-14-6-3-7-15-24/h3-21,23,30H,22H2,1-2H3,(H2,34,35,42)
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n/an/a 55n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50407326
PNG
(CHEMBL302027)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-15-17-28(18-16-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-10-8-11-31(19-29)48-44(60)52-33-13-6-4-9-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-14-7-5-12-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50422153
PNG
(CHEMBL345869)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C35H36N6O4/c1-24(2)40(28-21-19-26(20-22-28)38(3)4)31(42)23-39-29-17-11-12-18-30(29)41(27-15-9-6-10-16-27)34(44)32(33(39)43)37-35(45)36-25-13-7-5-8-14-25/h5-22,24,32H,23H2,1-4H3,(H2,36,37,45)
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n/an/a 63n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50422151
PNG
(CHEMBL88239)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C35H34N4O4/c1-25(2)38(27-17-9-5-10-18-27)32(41)24-37-29-21-13-14-22-30(29)39(28-19-11-6-12-20-28)34(43)35(3,33(37)42)23-31(40)36-26-15-7-4-8-16-26/h4-22,25H,23-24H2,1-3H3,(H,36,40)
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n/an/a 76n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))		BDBM50044874
PNG
(CHEMBL3311302)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human FFA4 receptor expressed in U2OS cells

Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159556
PNG
(CHEMBL3785219)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN(CCO)CCO)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H39N3O8S/c1-30(2,3)20-18-24(28(40-4)25(19-20)32-42(5,38)39)31-29(37)27(36)23-10-11-26(22-9-7-6-8-21(22)23)41-17-14-33(12-15-34)13-16-35/h6-11,18-19,32,34-35H,12-17H2,1-5H3,(H,31,37)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50072425
PNG
(2-[2,4-Dioxo-5-phenyl-3-(3-phenyl-ureido)-2,3,4,5-...)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
Show InChI InChI=1S/C34H33N5O5/c1-23(2)38(26-18-20-27(44-3)21-19-26)30(40)22-37-28-16-10-11-17-29(28)39(25-14-8-5-9-15-25)33(42)31(32(37)41)36-34(43)35-24-12-6-4-7-13-24/h4-21,23,31H,22H2,1-3H3,(H2,35,36,43)
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n/an/a 79n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50407328
PNG
(CHEMBL302150)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C43H45ClN8O8/c1-24-11-13-26(14-12-24)19-34(39(45)56)49-42(59)37(22-38(54)55)51-40(57)35(20-27-15-17-29(18-16-27)48-43(60)52-33-10-6-4-8-31(33)44)50-41(58)36(47-25(2)53)21-28-23-46-32-9-5-3-7-30(28)32/h3-18,23,34-37,46H,19-22H2,1-2H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t34-,35?,36+,37+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50407327
PNG
(CHEMBL303635)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C44H48N8O8/c1-25-15-17-28(18-16-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-10-8-11-31(19-29)48-44(60)52-33-13-6-4-9-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-14-7-5-12-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50422157
PNG
(CHEMBL345786)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C33H30FN5O4/c1-22(2)38(26-19-17-23(34)18-20-26)29(40)21-37-27-15-9-10-16-28(27)39(25-13-7-4-8-14-25)32(42)30(31(37)41)36-33(43)35-24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3,(H2,35,36,43)
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n/an/a 100n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50323654
PNG
(CHEMBL1208829 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50422148
PNG
(CHEMBL317181)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(CC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H32N4O4/c1-24(2)37(26-16-8-4-9-17-26)32(40)23-36-29-20-12-13-21-30(29)38(27-18-10-5-11-19-27)34(42)28(33(36)41)22-31(39)35-25-14-6-3-7-15-25/h3-21,24,28H,22-23H2,1-2H3,(H,35,39)
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n/an/a 155n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422154
PNG
(CHEMBL154615)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C37H38N6O5/c1-26(2)42(30-19-17-28(18-20-30)40-21-23-48-24-22-40)33(44)25-41-31-15-9-10-16-32(31)43(29-13-7-4-8-14-29)36(46)34(35(41)45)39-37(47)38-27-11-5-3-6-12-27/h3-20,26,34H,21-25H2,1-2H3,(H2,38,39,47)
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n/an/a 158n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159551
PNG
(CHEMBL3786730)
Show SMILES [Cl-].COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)C[N+]12CCN(CC1)CC2)C(C)(C)C
Show InChI InChI=1S/C36H47N5O7S.ClH/c1-36(2,3)26-23-30(34(46-4)31(24-26)38-49(44,45)25-41-17-11-39(12-18-41)13-19-41)37-35(43)33(42)29-9-10-32(28-8-6-5-7-27(28)29)48-22-16-40-14-20-47-21-15-40;/h5-10,23-24,38H,11-22,25H2,1-4H3;1H
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159547
PNG
(CHEMBL3786659)
Show SMILES [O-]C(=O)C(F)(F)F.CC[N+](CC)(CC)CCCS(=O)(=O)Nc1cc(cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C38H54N4O7S.C2HF3O2/c1-8-42(9-2,10-3)21-13-25-50(45,46)40-33-27-28(38(4,5)6)26-32(36(33)47-7)39-37(44)35(43)31-16-17-34(30-15-12-11-14-29(30)31)49-24-20-41-18-22-48-23-19-41;3-2(4,5)1(6)7/h11-12,14-17,26-27,40H,8-10,13,18-25H2,1-7H3;(H,6,7)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor

J Med Chem 38: 207-11 (1995)


BindingDB Entry DOI: 10.7270/Q28C9XF9
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159553
PNG
(CHEMBL3785530)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)CC(O)=O)C(C)(C)C
Show InChI InChI=1S/C31H37N3O9S/c1-31(2,3)20-17-24(29(41-4)25(18-20)33-44(39,40)19-27(35)36)32-30(38)28(37)23-9-10-26(22-8-6-5-7-21(22)23)43-16-13-34-11-14-42-15-12-34/h5-10,17-18,33H,11-16,19H2,1-4H3,(H,32,38)(H,35,36)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422153
PNG
(CHEMBL345869)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C35H36N6O4/c1-24(2)40(28-21-19-26(20-22-28)38(3)4)31(42)23-39-29-17-11-12-18-30(29)41(27-15-9-6-10-16-27)34(44)32(33(39)43)37-35(45)36-25-13-7-5-8-14-25/h5-22,24,32H,23H2,1-4H3,(H2,36,37,45)
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n/an/a 251n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells

J Med Chem 39: 562-9 (1996)


Article DOI: 10.1021/jm950626d
BindingDB Entry DOI: 10.7270/Q22R3SZ1
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422152
PNG
(CHEMBL432015)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H33N5O4/c1-24(2)38(26-17-9-5-10-18-26)30(40)23-37-28-21-13-14-22-29(28)39(27-19-11-6-12-20-27)32(42)34(3,31(37)41)36-33(43)35-25-15-7-4-8-16-25/h4-22,24H,23H2,1-3H3,(H2,35,36,43)
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n/an/a 282n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50414955
PNG
(CHEMBL576138)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19

J Med Chem 52: 7962-5 (2009)


Article DOI: 10.1021/jm901434t
BindingDB Entry DOI: 10.7270/Q2Z89DPD
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50414954
PNG
(CHEMBL575966)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19

J Med Chem 52: 7962-5 (2009)


Article DOI: 10.1021/jm901434t
BindingDB Entry DOI: 10.7270/Q2Z89DPD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50422149
PNG
(CHEMBL105619)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(CC(=O)Nc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C41H38N4O4/c1-30(2)44(33-21-11-5-12-22-33)38(47)29-43-35-25-15-16-26-36(35)45(34-23-13-6-14-24-34)40(49)41(39(43)48,27-31-17-7-3-8-18-31)28-37(46)42-32-19-9-4-10-20-32/h3-26,30H,27-29H2,1-2H3,(H,42,46)
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n/an/a 389n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
Scavenger receptor class B member 1


(Homo sapiens (Human))		BDBM50159529
PNG
(CHEMBL3787449)
Show SMILES [O-]C(=O)C(F)(F)F.COc1c(NC(=O)C(=O)c2ccc(OCC[N+](C)(C)C)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C29H37N3O6S.C2HF3O2/c1-29(2,3)19-17-23(27(37-7)24(18-19)31-39(8,35)36)30-28(34)26(33)22-13-14-25(38-16-15-32(4,5)6)21-12-10-9-11-20(21)22;3-2(4,5)1(6)7/h9-14,17-18,31H,15-16H2,1-8H3;(H,6,7)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...

Bioorg Med Chem Lett 26: 1901-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.025
BindingDB Entry DOI: 10.7270/Q22R3TJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422150
PNG
(CHEMBL262444)
Show SMILES CCC1(CC(=O)Nc2ccccc2)C(=O)N(CC(=O)N(C(C)C)c2ccccc2)c2ccccc2N(c2ccccc2)C1=O
Show InChI InChI=1S/C36H36N4O4/c1-4-36(24-32(41)37-27-16-8-5-9-17-27)34(43)38(25-33(42)39(26(2)3)28-18-10-6-11-19-28)30-22-14-15-23-31(30)40(35(36)44)29-20-12-7-13-21-29/h5-23,26H,4,24-25H2,1-3H3,(H,37,41)
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n/an/a 794n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand

J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair
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