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Compile Data Set for Download or QSAR

Found 335 hits with Last Name = 'danho' and Initial = 'w'   
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


(Bos taurus)		BDBM50003204
PNG
(CHEMBL122438 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC[C@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H56N8O13S2/c1-68-19-18-34(42(59)53-38(24-40(56)57)45(62)52-35(41(47)58)20-26-8-3-2-4-9-26)51-44(61)37(22-29-25-48-33-12-6-5-11-31(29)33)49-39(55)23-28-10-7-13-32(28)50-43(60)36(54-46(63)64)21-27-14-16-30(17-15-27)69(65,66)67/h2-6,8-9,11-12,14-17,25,28,32,34-38,48,54H,7,10,13,18-24H2,1H3,(H2,47,58)(H,49,55)(H,50,60)(H,51,61)(H,52,62)(H,53,59)(H,56,57)(H,63,64)(H,65,66,67)/t28?,32-,34+,35+,36+,37+,38+/m1/s1
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n/an/a 0.0290n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003669
PNG
(Ac-Tyr(SO3H)-Met-Gly-Trp-Met-R-Dtc-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H63N9O11S4/c1-29(59)53-39(24-31-15-17-33(18-16-31)73(67,68)69)45(63)55-36(19-21-70-4)44(62)52-27-41(60)54-40(25-32-26-51-35-14-10-9-13-34(32)35)46(64)56-37(20-22-71-5)48(66)58-28-72-49(2,3)42(58)47(65)57-38(43(50)61)23-30-11-7-6-8-12-30/h6-18,26,36-40,42,51H,19-25,27-28H2,1-5H3,(H2,50,61)(H,52,62)(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,65)(H,67,68,69)/t36-,37-,38-,39-,40-,42-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003666
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33?,34-,35?,36?/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from rat pancreas binding assay

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003199
PNG
(CHEMBL126008 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H50N8O13S2/c1-68-20-19-34(42(59)53-38(24-39(55)56)45(62)51-35(40(47)57)21-26-7-3-2-4-8-26)50-44(61)37(23-29-25-48-33-10-6-5-9-32(29)33)52-41(58)28-13-15-30(16-14-28)49-43(60)36(54-46(63)64)22-27-11-17-31(18-12-27)69(65,66)67/h2-18,25,34-38,48,54H,19-24H2,1H3,(H2,47,57)(H,49,60)(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,55,56)(H,63,64)(H,65,66,67)/t34-,35-,36-,37-,38-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50011545
PNG
(CHEMBL430906 | Desamino-Tyr(SO3H)-Met-Gly-Trp-Met-...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)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/C45H56N8O13S3/c1-67-20-18-33(49-38(54)17-14-27-12-15-30(16-13-27)66-69(63,64)65)42(59)48-26-39(55)50-36(23-29-25-47-32-11-7-6-10-31(29)32)44(61)51-34(19-21-68-2)43(60)53-37(24-40(56)57)45(62)52-35(41(46)58)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,47H,14,17-24,26H2,1-2H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003202
PNG
(CHEMBL331408 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H50N8O13S2/c1-68-19-18-34(42(59)53-38(24-39(55)56)45(62)51-35(40(47)57)20-26-8-3-2-4-9-26)50-44(61)37(23-29-25-48-33-13-6-5-12-32(29)33)52-41(58)28-10-7-11-30(22-28)49-43(60)36(54-46(63)64)21-27-14-16-31(17-15-27)69(65,66)67/h2-17,22,25,34-38,48,54H,18-21,23-24H2,1H3,(H2,47,57)(H,49,60)(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,55,56)(H,63,64)(H,65,66,67)/t34-,35-,36-,37-,38-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50406497
PNG
(CHEMBL2079606)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=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/C48H59N13O10S2/c1-27(62)52-37(22-29-13-15-30(16-14-29)43-58-60-61-59-43)46(69)54-34(17-19-72-2)44(67)51-26-40(63)53-38(23-31-25-50-33-12-8-7-11-32(31)33)47(70)55-35(18-20-73-3)45(68)57-39(24-41(64)65)48(71)56-36(42(49)66)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,66)(H,51,67)(H,52,62)(H,53,63)(H,54,69)(H,55,70)(H,56,71)(H,57,68)(H,64,65)(H,58,59,60,61)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003200
PNG
(CHEMBL267849 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(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/C46H57N9O14S3/c1-70-18-16-32(51-43(62)35(55-46(65)66)21-27-12-14-29(15-13-27)72(67,68)69)41(60)49-25-38(56)50-36(22-28-24-48-31-11-7-6-10-30(28)31)44(63)52-33(17-19-71-2)42(61)54-37(23-39(57)58)45(64)53-34(40(47)59)20-26-8-4-3-5-9-26/h3-15,24,32-37,48,55H,16-23,25H2,1-2H3,(H2,47,59)(H,49,60)(H,50,56)(H,51,62)(H,52,63)(H,53,64)(H,54,61)(H,57,58)(H,65,66)(H,67,68,69)/t32-,33-,34-,35-,36-,37-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003670
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003201
PNG
(CHEMBL386376 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N8O13S2/c1-26-31(12-8-14-33(26)50-44(61)37(55-47(64)65)22-28-15-17-30(18-16-28)70(66,67)68)42(59)53-38(23-29-25-49-34-13-7-6-11-32(29)34)45(62)51-35(19-20-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)21-27-9-4-3-5-10-27/h3-18,25,35-39,49,55H,19-24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand

Bioorg Med Chem Lett 13: 1307-11 (2003)


BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003667
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-carbamoyl-1-(1-ca...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N10O12S3/c1-27(58)52-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)54-34(17-19-70-2)43(62)51-26-41(60)53-38(23-30-25-50-33-12-8-7-11-32(30)33)46(65)55-35(18-20-71-3)44(63)57-39(24-40(48)59)47(66)56-36(42(49)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,48,59)(H2,49,61)(H,51,62)(H,52,58)(H,53,60)(H,54,64)(H,55,65)(H,56,66)(H,57,63)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003196
PNG
(CHEMBL433647 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O13S2/c1-65-19-17-31(40(57)50-35(23-37(53)54)42(59)49-32(38(44)55)20-25-8-3-2-4-9-25)48-41(58)34(22-27-24-46-30-11-6-5-10-29(27)30)47-36(52)12-7-18-45-39(56)33(51-43(60)61)21-26-13-15-28(16-14-26)66(62,63)64/h2-6,8-11,13-16,24,31-35,46,51H,7,12,17-23H2,1H3,(H2,44,55)(H,45,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,53,54)(H,60,61)(H,62,63,64)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC4R) using NDP-MSH as radioligand

Bioorg Med Chem Lett 13: 1307-11 (2003)


BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003202
PNG
(CHEMBL331408 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H50N8O13S2/c1-68-19-18-34(42(59)53-38(24-39(55)56)45(62)51-35(40(47)57)20-26-8-3-2-4-9-26)50-44(61)37(23-29-25-48-33-13-6-5-12-32(29)33)52-41(58)28-10-7-11-30(22-28)49-43(60)36(54-46(63)64)21-27-14-16-31(17-15-27)69(65,66)67/h2-17,22,25,34-38,48,54H,18-21,23-24H2,1H3,(H2,47,57)(H,49,60)(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,55,56)(H,63,64)(H,65,66,67)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membran...

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003664
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H61N9O11S3/c1-28(57)51-38(24-30-15-17-32(18-16-30)70(65,66)67)43(61)53-35(19-21-68-4)42(60)50-27-40(58)52-39(25-31-26-49-34-14-10-9-13-33(31)34)44(62)54-36(20-22-69-5)45(63)56-47(2,3)46(64)55-37(41(48)59)23-29-11-7-6-8-12-29/h6-18,26,35-39,49H,19-25,27H2,1-5H3,(H2,48,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)(H,55,64)(H,56,63)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50406489
PNG
(CHEMBL2079549)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-13-15-31(16-14-30)23-42(61)62)47(68)55-35(17-19-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(69)56-36(18-20-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003201
PNG
(CHEMBL386376 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)c1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N8O13S2/c1-26-31(12-8-14-33(26)50-44(61)37(55-47(64)65)22-28-15-17-30(18-16-28)70(66,67)68)42(59)53-38(23-29-25-49-34-13-7-6-11-32(29)34)45(62)51-35(19-20-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)21-27-9-4-3-5-10-27/h3-18,25,35-39,49,55H,19-24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding toCholecystokinin type A receptor in rat pancreatic membrane...

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50406497
PNG
(CHEMBL2079606)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=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/C48H59N13O10S2/c1-27(62)52-37(22-29-13-15-30(16-14-29)43-58-60-61-59-43)46(69)54-34(17-19-72-2)44(67)51-26-40(63)53-38(23-31-25-50-33-12-8-7-11-32(31)33)47(70)55-35(18-20-73-3)45(68)57-39(24-41(64)65)48(71)56-36(42(49)66)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,66)(H,51,67)(H,52,62)(H,53,63)(H,54,69)(H,55,70)(H,56,71)(H,57,68)(H,64,65)(H,58,59,60,61)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50011545
PNG
(CHEMBL430906 | Desamino-Tyr(SO3H)-Met-Gly-Trp-Met-...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)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/C45H56N8O13S3/c1-67-20-18-33(49-38(54)17-14-27-12-15-30(16-13-27)66-69(63,64)65)42(59)48-26-39(55)50-36(23-29-25-47-32-11-7-6-10-31(29)32)44(61)51-34(19-21-68-2)43(60)53-37(24-40(56)57)45(62)52-35(41(46)58)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,47H,14,17-24,26H2,1-2H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50406690
PNG
(CHEMBL2112635)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H58N8O13S2/c1-69-20-19-35(43(60)54-39(25-41(57)58)46(63)53-36(42(48)59)21-27-9-3-2-4-10-27)52-45(62)38(23-30-26-49-34-14-8-6-12-32(30)34)50-40(56)24-29-11-5-7-13-33(29)51-44(61)37(55-47(64)65)22-28-15-17-31(18-16-28)70(66,67)68/h2-4,6,8-10,12,14-18,26,29,33,35-39,49,55H,5,7,11,13,19-25H2,1H3,(H2,48,59)(H,50,56)(H,51,61)(H,52,62)(H,53,63)(H,54,60)(H,57,58)(H,64,65)(H,66,67,68)/t29-,33-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50451759
PNG
(CHEMBL2371219)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,29.31,wD:40.42,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.36,;11.29,-10.85,;8.69,-11.41,;9.03,-12.9,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.97,-6.85,;17.22,-7.76,;16.74,-9.22,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.22,;14.09,-4.76,;13.76,-3.24,;15.55,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells

Bioorg Med Chem Lett 13: 649-52 (2003)


BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003670
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50011538
PNG
(Ac-Phe(4-SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(C)=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/C47H59N9O14S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)70-73(67,68)69)45(64)53-34(17-19-71-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-72-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36+,37+,38+,39+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50011538
PNG
(Ac-Phe(4-SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(C)=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/C47H59N9O14S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)70-73(67,68)69)45(64)53-34(17-19-71-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-72-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36+,37+,38+,39+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003200
PNG
(CHEMBL267849 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(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/C46H57N9O14S3/c1-70-18-16-32(51-43(62)35(55-46(65)66)21-27-12-14-29(15-13-27)72(67,68)69)41(60)49-25-38(56)50-36(22-28-24-48-31-11-7-6-10-30(28)31)44(63)52-33(17-19-71-2)42(61)54-37(23-39(57)58)45(64)53-34(40(47)59)20-26-8-4-3-5-9-26/h3-15,24,32-37,48,55H,16-23,25H2,1-2H3,(H2,47,59)(H,49,60)(H,50,56)(H,51,62)(H,52,63)(H,53,64)(H,54,61)(H,57,58)(H,65,66)(H,67,68,69)/t32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003196
PNG
(CHEMBL433647 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H52N8O13S2/c1-65-19-17-31(40(57)50-35(23-37(53)54)42(59)49-32(38(44)55)20-25-8-3-2-4-9-25)48-41(58)34(22-27-24-46-30-11-6-5-10-29(27)30)47-36(52)12-7-18-45-39(56)33(51-43(60)61)21-26-13-15-28(16-14-26)66(62,63)64/h2-6,8-11,13-16,24,31-35,46,51H,7,12,17-23H2,1H3,(H2,44,55)(H,45,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,53,54)(H,60,61)(H,62,63,64)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50011541
PNG
(3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)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/C46H56N12O9S2/c1-68-20-18-33(50-38(59)17-14-27-12-15-29(16-13-27)42-55-57-58-56-42)43(64)49-26-39(60)51-36(23-30-25-48-32-11-7-6-10-31(30)32)45(66)52-34(19-21-69-2)44(65)54-37(24-40(61)62)46(67)53-35(41(47)63)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,48H,14,17-24,26H2,1-2H3,(H2,47,63)(H,49,64)(H,50,59)(H,51,60)(H,52,66)(H,53,67)(H,54,65)(H,61,62)(H,55,56,57,58)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003207
PNG
(CHEMBL405805 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(NC(=O)[C@H](Cc2ccc(cc2)S(O)(=O)=O)NC(O)=O)ccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N8O13S2/c1-26-12-15-30(50-44(61)37(55-47(64)65)21-28-13-16-31(17-14-28)70(66,67)68)23-33(26)42(59)53-38(22-29-25-49-34-11-7-6-10-32(29)34)45(62)51-35(18-19-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)20-27-8-4-3-5-9-27/h3-17,23,25,35-39,49,55H,18-22,24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003665
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39+/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003662
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H61N9O11S3/c1-29(58)52-39(25-31-15-17-33(18-16-31)71(66,67)68)45(62)54-36(19-22-69-2)44(61)51-28-42(59)53-40(26-32-27-50-35-13-8-7-12-34(32)35)46(63)55-37(20-23-70-3)48(65)57-21-9-14-41(57)47(64)56-38(43(49)60)24-30-10-5-4-6-11-30/h4-8,10-13,15-18,27,36-41,50H,9,14,19-26,28H2,1-3H3,(H2,49,60)(H,51,61)(H,52,58)(H,53,59)(H,54,62)(H,55,63)(H,56,64)(H,66,67,68)/t36-,37-,38-,39-,40-,41-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003205
PNG
(CHEMBL421471 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S2/c1-66-20-18-32(41(58)51-36(24-38(54)55)43(60)50-33(39(45)56)21-26-9-3-2-4-10-26)49-42(59)35(23-28-25-47-31-12-6-5-11-30(28)31)48-37(53)13-7-8-19-46-40(57)34(52-44(61)62)22-27-14-16-29(17-15-27)67(63,64)65/h2-6,9-12,14-17,25,32-36,47,52H,7-8,13,18-24H2,1H3,(H2,45,56)(H,46,57)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,54,55)(H,61,62)(H,63,64,65)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50174078
PNG
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)
Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.42,-2.6,;-7.09,-3.35,;-5.77,-2.6,;-4.46,-3.37,;-3.15,-2.6,;-3.15,-1.09,;-1.84,-3.38,;-1.44,-4.83,;-2.83,-4.22,;-4.05,-5.1,;-3.88,-6.61,;-2.51,-7.21,;-1.29,-6.33,;-5.09,-7.49,;-6.47,-6.87,;-7.68,-7.76,;-7.53,-9.26,;-6.14,-9.87,;-4.93,-8.98,;-.23,-3.94,;-.39,-2.44,;1.16,-4.55,;2.36,-3.66,;2.36,-2.11,;2.76,-.6,;1.64,.49,;2.03,2,;3.55,2.43,;4.64,1.33,;4.25,-.18,;3.65,-4.52,;3.65,-6.07,;5.01,-3.79,;6.22,-4.69,;6.22,-6.23,;7.56,-7,;7.56,-8.54,;8.89,-9.26,;10.23,-10.08,;10.23,-11.63,;11.57,-9.31,;7.51,-3.81,;7.51,-2.27,;8.87,-4.55,;10.08,-3.66,;10.08,-2.11,;10.61,-.65,;12.09,-.21,;12.13,1.33,;10.69,1.84,;10.1,3.26,;8.57,3.47,;7.63,2.25,;8.21,.82,;9.74,.62,;11.37,-4.52,;11.37,-6.07,;12.73,-3.79,;13.96,-4.69,;15.22,-3.81,;16.59,-4.55,;15.24,-2.27,)|
Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement

Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003203
PNG
(CHEMBL436199 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S2/c1-67-21-19-33(42(59)52-37(25-39(55)56)44(61)51-34(40(46)57)22-27-10-4-2-5-11-27)50-43(60)36(24-29-26-48-32-13-8-7-12-31(29)32)49-38(54)14-6-3-9-20-47-41(58)35(53-45(62)63)23-28-15-17-30(18-16-28)68(64,65)66/h2,4-5,7-8,10-13,15-18,26,33-37,48,53H,3,6,9,14,19-25H2,1H3,(H2,46,57)(H,47,58)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63)(H,64,65,66)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126087
PNG
(CHEMBL415341 | MT-II cyclic peptide derivative)
Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H67ClN12O8/c1-2-3-21-43(66)60-42-28-44(67)57-24-10-9-19-38(45(54)68)61-48(71)41(27-33-30-59-37-18-8-7-16-35(33)37)63-46(69)39(20-12-25-58-51(55)56)62-47(70)40(26-31-13-5-4-6-14-31)64-50(73)52(65-49(42)72)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,59H,2-3,9-10,12,19-29H2,1H3,(H2,54,68)(H,57,67)(H,60,66)(H,61,71)(H,62,70)(H,63,69)(H,64,73)(H,65,72)(H4,55,56,58)/t38-,39+,40-,41-,42+,52?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand

Bioorg Med Chem Lett 13: 1307-11 (2003)


BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50124772
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,30.32,wD:41.43,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;11.29,-10.85,;11.61,-12.36,;13.07,-12.83,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells

Bioorg Med Chem Lett 13: 649-52 (2003)


BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50406496
PNG
(CHEMBL2079551)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(Cc2nnn[nH]2)cc1)NC(C)=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/C49H61N13O10S2/c1-28(63)53-38(22-30-13-15-31(16-14-30)23-41-59-61-62-60-41)47(70)55-35(17-19-73-2)45(68)52-27-42(64)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(71)56-36(18-20-74-3)46(69)58-40(25-43(65)66)49(72)57-37(44(50)67)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,67)(H,52,68)(H,53,63)(H,54,64)(H,55,70)(H,56,71)(H,57,72)(H,58,69)(H,65,66)(H,59,60,61,62)/t35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50406490
PNG
(CHEMBL2079603)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(CC(O)=O)cc1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-13-15-31(16-14-30)23-42(61)62)47(68)55-35(17-19-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(69)56-36(18-20-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003205
PNG
(CHEMBL421471 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S2/c1-66-20-18-32(41(58)51-36(24-38(54)55)43(60)50-33(39(45)56)21-26-9-3-2-4-10-26)49-42(59)35(23-28-25-47-31-12-6-5-11-30(28)31)48-37(53)13-7-8-19-46-40(57)34(52-44(61)62)22-27-14-16-29(17-15-27)67(63,64)65/h2-6,9-12,14-17,25,32-36,47,52H,7-8,13,18-24H2,1H3,(H2,45,56)(H,46,57)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,54,55)(H,61,62)(H,63,64,65)/t32-,33-,34-,35-,36-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50003665
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50124773
PNG
((S)-2-{(S)-3-(4-Bromo-phenyl)-2-[(S)-2-butyrylamin...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H49BrN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells

Bioorg Med Chem Lett 13: 649-52 (2003)


BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50011542
PNG
(3-[4-(carboxymethyl)phenyl]propanoyl-Met-Gly-Trp-M...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(CC(O)=O)cc1)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/C47H58N8O11S2/c1-67-20-18-34(51-39(56)17-16-28-12-14-30(15-13-28)23-41(58)59)44(63)50-27-40(57)52-37(24-31-26-49-33-11-7-6-10-32(31)33)46(65)53-35(19-21-68-2)45(64)55-38(25-42(60)61)47(66)54-36(43(48)62)22-29-8-4-3-5-9-29/h3-15,26,34-38,49H,16-25,27H2,1-2H3,(H2,48,62)(H,50,63)(H,51,56)(H,52,57)(H,53,65)(H,54,66)(H,55,64)(H,58,59)(H,60,61)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50011544
PNG
(Ac-(R,S)Phe(3-CH2COOH)-Met-Gly-Trp-Met-Asp-Phe-NH2...)
Show SMILES CSCC[C@H](NC(=O)C(Cc1cccc(CC(O)=O)c1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-12-9-13-31(20-30)23-42(61)62)47(68)55-35(16-18-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-15-8-7-14-33(32)34)48(69)56-36(17-19-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-10-5-4-6-11-29/h4-15,20,26,35-40,51H,16-19,21-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36+,37-,38?,39-,40-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Bos taurus)		BDBM50011544
PNG
(Ac-(R,S)Phe(3-CH2COOH)-Met-Gly-Trp-Met-Asp-Phe-NH2...)
Show SMILES CSCC[C@H](NC(=O)C(Cc1cccc(CC(O)=O)c1)NC(C)=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/C49H61N9O12S2/c1-28(59)53-38(22-30-12-9-13-31(20-30)23-42(61)62)47(68)55-35(16-18-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-15-8-7-14-33(32)34)48(69)56-36(17-19-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-10-5-4-6-11-29/h4-15,20,26,35-40,51H,16-19,21-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36+,37-,38?,39-,40-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50003204
PNG
(CHEMBL122438 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC[C@H]1NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H56N8O13S2/c1-68-19-18-34(42(59)53-38(24-40(56)57)45(62)52-35(41(47)58)20-26-8-3-2-4-9-26)51-44(61)37(22-29-25-48-33-12-6-5-11-31(29)33)49-39(55)23-28-10-7-13-32(28)50-43(60)36(54-46(63)64)21-27-14-16-30(17-15-27)69(65,66)67/h2-6,8-9,11-12,14-17,25,28,32,34-38,48,54H,7,10,13,18-24H2,1H3,(H2,47,58)(H,49,55)(H,50,60)(H,51,61)(H,52,62)(H,53,59)(H,56,57)(H,63,64)(H,65,66,67)/t28?,32-,34+,35+,36+,37+,38+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membran...

J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50011542
PNG
(3-[4-(carboxymethyl)phenyl]propanoyl-Met-Gly-Trp-M...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(CC(O)=O)cc1)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/C47H58N8O11S2/c1-67-20-18-34(51-39(56)17-16-28-12-14-30(15-13-28)23-41(58)59)44(63)50-27-40(57)52-37(24-31-26-49-33-11-7-6-10-32(31)33)46(65)53-35(19-21-68-2)45(64)55-38(25-42(60)61)47(66)54-36(43(48)62)22-29-8-4-3-5-9-29/h3-15,26,34-38,49H,16-25,27H2,1-2H3,(H2,48,62)(H,50,63)(H,51,56)(H,52,57)(H,53,65)(H,54,66)(H,55,64)(H,58,59)(H,60,61)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells

Bioorg Med Chem Lett 13: 649-52 (2003)


BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50406491
PNG
(CHEMBL2079548)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(O)=O)NC(C)=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/C48H59N9O12S2/c1-27(58)52-37(22-29-13-15-30(16-14-29)48(68)69)45(65)54-34(17-19-70-2)43(63)51-26-40(59)53-38(23-31-25-50-33-12-8-7-11-32(31)33)46(66)55-35(18-20-71-3)44(64)57-39(24-41(60)61)47(67)56-36(42(49)62)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,62)(H,51,63)(H,52,58)(H,53,59)(H,54,65)(H,55,66)(H,56,67)(H,57,64)(H,60,61)(H,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50011541
PNG
(3-4-(tetrazol-5-ylphenyl)propanoyl-Met-Gly-Trp-Met...)
Show SMILES CSCC[C@H](NC(=O)CCc1ccc(cc1)-c1nnn[nH]1)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/C46H56N12O9S2/c1-68-20-18-33(50-38(59)17-14-27-12-15-29(16-13-27)42-55-57-58-56-42)43(64)49-26-39(60)51-36(23-30-25-48-32-11-7-6-10-31(30)32)45(66)52-34(19-21-69-2)44(65)54-37(24-40(61)62)46(67)53-35(41(47)63)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,48H,14,17-24,26H2,1-2H3,(H2,47,63)(H,49,64)(H,50,59)(H,51,60)(H,52,66)(H,53,67)(H,54,65)(H,61,62)(H,55,56,57,58)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes

J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50174073
PNG
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)
Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)|
Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement

Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
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