BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 333 hits Enz. Inhib. hit(s) with all data for entry = 50038781   
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


(RAT)
BDBM50056087
PNG
(3-{3-[1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C29H28N4O5/c1-29(2,3)23(34)17-33-22-15-8-7-14-21(22)24(18-10-5-4-6-11-18)31-25(26(33)35)32-28(38)30-20-13-9-12-19(16-20)27(36)37/h4-16,25H,17H2,1-3H3,(H,36,37)(H2,30,32,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.29n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50088529
PNG
(CHEMBL3576924)
Show SMILES CC1CC23OC(=O)C(=C2O)C(=O)C2CSC(C2C(C)C\C=C\CC(O)C\C=C\C=C\CC3C=C1C)C(=O)C(O)=O |c:7,35,t:22,28,30|
Show InChI InChI=1S/C31H38O8S/c1-17-10-8-9-13-21(32)12-7-5-4-6-11-20-14-18(2)19(3)15-31(20)28(35)24(30(38)39-31)25(33)22-16-40-27(23(17)22)26(34)29(36)37/h4-9,14,17,19-23,27,32,35H,10-13,15-16H2,1-3H3,(H,36,37)/b6-4+,7-5+,9-8+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of CCK-B receptor in rat cerebral cortex


J Nat Prod 78: 562-75 (2015)


Article DOI: 10.1021/np500757w
BindingDB Entry DOI: 10.7270/Q2HQ41NZ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50286898
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1-methyl-1H-imi...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3nccn3C)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
Show InChI InChI=1S/C27H30N6O3/c1-17-9-8-10-18(15-17)29-26(36)31-23-25(35)33(16-21(34)27(2,3)4)20-12-7-6-11-19(20)22(30-23)24-28-13-14-32(24)5/h6-15,23H,16H2,1-5H3,(H2,29,31,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.60n/an/an/an/an/an/a



Insituto de Qu�mica M�dica (CSIC), Juan de la Cierva 3, E-28006 Madrid, Spain.

Curated by ChEMBL


Assay Description
Binding affinity by competitive inhibition of the radioligand [3H]pCCK-8 at Cholecystokinin type B receptor from rat cerebral cortex membrane


J Med Chem 42: 4659-68 (1999)


BindingDB Entry DOI: 10.7270/Q24T6K2B
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.60n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]pCCK-8 specific binding cholecystokinin type B receptor in rat cerebral cortex membranes


J Med Chem 44: 2219-28 (2001)


BindingDB Entry DOI: 10.7270/Q2M32WG1
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex homogenates


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.60n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]pCCK-8 binding to cholecystokinin type B receptor of rat cerebral cortex


J Med Chem 44: 4196-206 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane(CCK-B)


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50286882
PNG
(1-[(S)-1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pheny...)
Show SMILES Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:11|
Show InChI InChI=1S/C30H30N4O3/c1-20-10-9-15-23(18-20)31-30(37)33-28-29(36)34(19-26(35)21-11-5-6-12-21)25-17-8-7-16-24(25)27(32-28)22-13-3-2-4-14-22/h2-4,7-10,13-18,21,28H,5-6,11-12,19H2,1H3,(H2,31,33,37)/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50089106
PNG
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES Cc1ccccc1NC(=O)NCCCCC(CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:23.37,wD:23.24,TLB:41:42:46:39.40.45,38:39:46:42.48.43,THB:43:44:39:42.41.48,43:42:39:44.46.45,41:40:46:42.48.43,(16.59,-2.78,;16.68,-1.24,;18.06,-.54,;18.13,1,;16.84,1.84,;15.47,1.14,;15.4,-.4,;14.03,-1.1,;12.74,-.26,;12.81,1.28,;11.36,-.96,;10.08,-.12,;8.7,-.82,;7.42,.02,;6.04,-.68,;4.74,.16,;4.83,1.7,;6.21,2.4,;7.49,1.56,;6.28,3.94,;3.38,-.52,;2.08,.32,;2.17,1.84,;.71,-.38,;.22,1.38,;.4,-1.99,;1.22,-3.34,;.43,-4.64,;1.42,-5.79,;2.83,-5.21,;4.21,-5.86,;5.47,-4.98,;5.34,-3.46,;3.95,-2.81,;2.71,-3.69,;-.58,.46,;-1.96,-.24,;-2.03,-1.78,;-3.24,.6,;-4.62,-.1,;-4.81,-1.62,;-5.97,-2.76,;-7.3,-2.03,;-8.84,-2.26,;-7.5,-1.14,;-6.24,-1.8,;-7.32,.33,;-5.93,.65,;-7.11,-.45,)|
Show InChI InChI=1S/C38H49N5O6/c1-23-9-3-5-12-31(23)42-36(47)39-14-8-7-10-29(20-33(44)45)41-35(46)38(2,21-28-22-40-32-13-6-4-11-30(28)32)43-37(48)49-34-26-16-24-15-25(18-26)19-27(34)17-24/h3-6,9,11-13,22,24-27,29,34,40H,7-8,10,14-21H2,1-2H3,(H,41,46)(H,43,48)(H,44,45)(H2,39,42,47)/t24?,25?,26?,27?,29?,34?,38-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.70n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 specific binding to rat cerebral cortex membranes Cholecystokinin type B receptor


Bioorg Med Chem Lett 12: 109-12 (2001)


BindingDB Entry DOI: 10.7270/Q2P84B5G
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50024321
PNG
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.80n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex


J Med Chem 35: 28-38 (1992)


BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50286899
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-imidazol-2-y...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ncc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
Show InChI InChI=1S/C26H28N6O3/c1-16-8-7-9-17(14-16)29-25(35)31-23-24(34)32(15-20(33)26(2,3)4)19-11-6-5-10-18(19)21(30-23)22-27-12-13-28-22/h5-14,23H,15H2,1-4H3,(H,27,28)(H2,29,31,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50450461
PNG
(CHEMBL2367718)
Show SMILES [H][C@]12CC[C@@](C)([C@@H](C1)OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)C2(C)C |TLB:8:6:3.2:43|
Show InChI InChI=1S/C35H44N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t24-,27-,28+,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033633
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033634
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50450461
PNG
(CHEMBL2367718)
Show SMILES [H][C@]12CC[C@@](C)([C@@H](C1)OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)C2(C)C |TLB:8:6:3.2:43|
Show InChI InChI=1S/C35H44N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t24-,27-,28+,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033632
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50291421
PNG
((S)-3-{(S)-2-[(1S,2S)-2-Benzyloxycarbonylamino-1-c...)
Show SMILES CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(50)45-33(21-35(47)48)38(51)44-32(36(41)49)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,49)(H,44,51)(H,45,50)(H,46,52)(H,47,48)/t30-,31-,32-,33-,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033633
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033634
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 16n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288465
PNG
((S)-1-(2-{(2-Cyclohexyl-ethyl)-[(S)-2-(2-1H-indol-...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CN(CCC1CCCCC1)C(=O)[C@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C35H44N4O5/c40-32(22-27-23-36-29-15-8-7-14-28(27)29)37-30(18-17-25-10-3-1-4-11-25)34(42)38(21-19-26-12-5-2-6-13-26)24-33(41)39-20-9-16-31(39)35(43)44/h1,3-4,7-8,10-11,14-15,23,26,30-31,36H,2,5-6,9,12-13,16-22,24H2,(H,37,40)(H,43,44)/t30-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033636
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 18n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50286894
PNG
(1-[2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-pyridin-4-yl-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
Show InChI InChI=1S/C31H27N5O3/c1-20-8-7-10-23(18-20)33-31(39)35-29-30(38)36(19-27(37)24-11-4-3-9-21(24)2)26-13-6-5-12-25(26)28(34-29)22-14-16-32-17-15-22/h3-18,29H,19H2,1-2H3,(H2,33,35,39)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033632
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 23n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50011196
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]propionylCCK8 from rat cerebral cortex CCK2


J Med Chem 48: 7667-74 (2005)


Article DOI: 10.1021/jm050689o
BindingDB Entry DOI: 10.7270/Q2QJ7GV9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50289204
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C34H43N5O9S/c1-34(2,3)48-33(47)39-25(17-21-19-35-23-13-9-8-12-22(21)23)30(43)36-24(14-15-49-4)29(42)37-26(18-28(40)41)31(44)38-27(32(45)46)16-20-10-6-5-7-11-20/h5-13,19,24-27,35H,14-18H2,1-4H3,(H,36,43)(H,37,42)(H,38,44)(H,39,47)(H,40,41)(H,45,46)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50286901
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-imidazol-4-y...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3cnc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:11|
Show InChI InChI=1S/C26H28N6O3/c1-16-8-7-9-17(12-16)29-25(35)31-23-24(34)32(14-21(33)26(2,3)4)20-11-6-5-10-18(20)22(30-23)19-13-27-15-28-19/h5-13,15,23H,14H2,1-4H3,(H,27,28)(H2,29,31,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288463
PNG
((R)-2-{(2R,5S)-2-[(R)-3-(Carboxymethyl-carbamoyl)-...)
Show SMILES CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(O)=O
Show InChI InChI=1S/C37H40N4O7/c1-37(2,3)48-36(47)41-27-16-10-9-14-25(27)20-31(41)35(46)40-28(23-11-5-4-6-12-23)17-18-29(40)34(45)39-22-26-15-8-7-13-24(26)19-30(39)33(44)38-21-32(42)43/h4-16,28-31H,17-22H2,1-3H3,(H,38,44)(H,42,43)/t28-,29+,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288475
PNG
((S)-1-(2-{Cyclohexylmethyl-[(S)-2-(2-1H-indol-3-yl...)
Show SMILES CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CC1CCCCC1)CC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C30H42N4O5/c1-2-3-13-25(32-27(35)17-22-18-31-24-14-8-7-12-23(22)24)29(37)33(19-21-10-5-4-6-11-21)20-28(36)34-16-9-15-26(34)30(38)39/h7-8,12,14,18,21,25-26,31H,2-6,9-11,13,15-17,19-20H2,1H3,(H,32,35)(H,38,39)/t25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033629
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C51H68N8O13S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50449787
PNG
(CHEMBL2062154 | PD-134308)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)|
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288466
PNG
((S)-1-(2-{[(S)-2-(2-1H-Indol-3-yl-acetylamino)-hex...)
Show SMILES CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C31H38N4O5/c1-2-3-13-26(33-28(36)19-23-20-32-25-14-8-7-12-24(23)25)30(38)34(18-16-22-10-5-4-6-11-22)21-29(37)35-17-9-15-27(35)31(39)40/h4-8,10-12,14,20,26-27,32H,2-3,9,13,15-19,21H2,1H3,(H,33,36)(H,39,40)/t26-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288470
PNG
((R)-2-[(2R,5S)-2-((R)-3-Carboxymethyl-3,4-dihydro-...)
Show SMILES CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1CC(O)=O
Show InChI InChI=1S/C36H39N3O6/c1-36(2,3)45-35(44)39-28-16-10-9-14-25(28)20-31(39)34(43)38-29(23-11-5-4-6-12-23)17-18-30(38)33(42)37-22-26-15-8-7-13-24(26)19-27(37)21-32(40)41/h4-16,27,29-31H,17-22H2,1-3H3,(H,40,41)/t27-,29+,30-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288462
PNG
((R)-2-{(2R,5S)-2-[(R)-3-((R)-2-Carboxy-pyrrolidine...)
Show SMILES CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C40H44N4O7/c1-40(2,3)51-39(50)44-29-17-10-9-15-27(29)23-34(44)37(47)43-30(25-12-5-4-6-13-25)19-20-31(43)35(45)42-24-28-16-8-7-14-26(28)22-33(42)36(46)41-21-11-18-32(41)38(48)49/h4-10,12-17,30-34H,11,18-24H2,1-3H3,(H,48,49)/t30-,31+,32+,33+,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50061270
PNG
((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |TLB:24:23:25:19.18.20,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,15:16:25:19.18.20|
Show InChI InChI=1S/C33H36Cl2N4O6/c1-33(15-20-16-36-27-5-3-2-4-25(20)27,37-32(43)45-39-22-9-18-8-19(11-22)12-23(39)10-18)31(42)38-17-24(14-28(38)30(40)41)44-29-7-6-21(34)13-26(29)35/h2-7,13,16,18-19,22-24,28,36H,8-12,14-15,17H2,1H3,(H,37,43)(H,40,41)/t18-,19+,22-,23+,24-,28-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50070412
PNG
((2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:1.13,wD:32.38,30.41,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(22.06,-1.42,;22.08,-2.96,;22.09,-4.51,;21.3,-5.84,;19.77,-5.96,;19.42,-7.48,;20.76,-8.25,;21.05,-9.76,;22.49,-10.27,;23.65,-9.25,;23.36,-7.76,;21.92,-7.25,;20.72,-2.2,;19.38,-3,;19.42,-4.55,;18.05,-2.26,;16.71,-3.06,;15.22,-2.62,;15.23,-1.04,;14.17,.19,;12.79,-.39,;12.79,-1.91,;13.82,-3.2,;14.2,-2.26,;15.52,-1.77,;15.52,-.29,;23.4,-2.17,;23.37,-.62,;24.94,-2.17,;25.84,-.91,;27.3,-1.38,;27.3,-2.91,;25.85,-3.39,;25.37,-4.87,;26.42,-6,;23.88,-5.19,;28.56,-.46,;29.96,-1.09,;30.13,-2.62,;31.54,-3.25,;32.79,-2.33,;34.19,-2.96,;32.61,-.78,;31.19,-.17,;31.03,1.35,)|
Show InChI InChI=1S/C34H37Cl2N3O6/c1-34(15-22-16-37-27-5-3-2-4-25(22)27,38-33(43)45-30-20-9-18-8-19(11-20)12-21(30)10-18)32(42)39-17-24(14-28(39)31(40)41)44-29-7-6-23(35)13-26(29)36/h2-7,13,16,18-21,24,28,30,37H,8-12,14-15,17H2,1H3,(H,38,43)(H,40,41)/t18?,19?,20?,21?,24-,28-,30?,34-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 37n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity against CCK-B receptor


Bioorg Med Chem Lett 8: 1419-24 (1999)


BindingDB Entry DOI: 10.7270/Q2NZ86S0
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288468
PNG
(CHEMBL101313 | CHEMBL3142755 | N-(1-Carbamoyl-2-ph...)
Show SMILES CC(C)C[C@H](N1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H38N6O7/c1-18(2)12-26(38-17-27(39)35-25(32(38)45)14-20-16-34-22-11-7-6-10-21(20)22)31(44)37-24(15-28(40)41)30(43)36-23(29(33)42)13-19-8-4-3-5-9-19/h3-11,16,18,23-26,34H,12-15,17H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23?,24?,25-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288471
PNG
((R)-2-[(2R,5S)-1-((R)-1-tert-Butoxycarbonyl-2,3-di...)
Show SMILES CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O
Show InChI InChI=1S/C35H37N3O6/c1-35(2,3)44-34(43)38-26-16-10-9-14-24(26)20-29(38)32(40)37-27(22-11-5-4-6-12-22)17-18-28(37)31(39)36-21-25-15-8-7-13-23(25)19-30(36)33(41)42/h4-16,27-30H,17-21H2,1-3H3,(H,41,42)/t27-,28+,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 39n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity against CCK-B receptor


Bioorg Med Chem Lett 8: 1419-24 (1999)


BindingDB Entry DOI: 10.7270/Q2NZ86S0
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50033636
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 42n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50291428
PNG
(2-{2-[(S)-2-((S)-Benzyloxycarbonylamino)-1-cyano-3...)
Show SMILES CCCC[C@H](N[C@@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(O)=O
Show InChI InChI=1S/C39H45N7O7/c1-2-3-17-30(37(49)45-33(38(50)51)21-35(47)44-32(36(41)48)19-25-12-6-4-7-13-25)43-34(22-40)31(20-27-23-42-29-18-11-10-16-28(27)29)46-39(52)53-24-26-14-8-5-9-15-26/h4-16,18,23,30-34,42-43H,2-3,17,19-21,24H2,1H3,(H2,41,48)(H,44,47)(H,45,49)(H,46,52)(H,50,51)/t30-,31-,32-,33-,34-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50286902
PNG
(1-[1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pyridin-4...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:11|
Show InChI InChI=1S/C29H29N5O3/c1-19-7-6-10-22(17-19)31-29(37)33-27-28(36)34(18-25(35)20-8-2-3-9-20)24-12-5-4-11-23(24)26(32-27)21-13-15-30-16-14-21/h4-7,10-17,20,27H,2-3,8-9,18H2,1H3,(H2,31,33,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50288467
PNG
((R)-2-[(2R,5S)-2-(3,4-Dihydro-1H-isoquinoline-2-ca...)
Show SMILES CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C34H37N3O4/c1-34(2,3)41-33(40)37-27-16-10-9-14-25(27)21-30(37)32(39)36-28(24-12-5-4-6-13-24)17-18-29(36)31(38)35-20-19-23-11-7-8-15-26(23)22-35/h4-16,28-30H,17-22H2,1-3H3/t28-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 52n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Bioorg Med Chem Lett 6: 2971-2976 (1996)


Article DOI: 10.1016/S0960-894X(96)00546-X
BindingDB Entry DOI: 10.7270/Q20K292V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50061268
PNG
((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(I)cc1 |TLB:25:17:24:21.22.20,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,15:16:24:21.22.20|
Show InChI InChI=1S/C33H37IN4O6/c1-33(16-21-17-35-28-5-3-2-4-27(21)28,36-32(42)44-38-23-11-19-10-20(13-23)14-24(38)12-19)31(41)37-18-26(15-29(37)30(39)40)43-25-8-6-22(34)7-9-25/h2-9,17,19-20,23-24,26,29,35H,10-16,18H2,1H3,(H,36,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50061273
PNG
((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(F)cc1 |TLB:25:17:24:21.22.20,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,15:16:24:21.22.20|
Show InChI InChI=1S/C33H37FN4O6/c1-33(16-21-17-35-28-5-3-2-4-27(21)28,36-32(42)44-38-23-11-19-10-20(13-23)14-24(38)12-19)31(41)37-18-26(15-29(37)30(39)40)43-25-8-6-22(34)7-9-25/h2-9,17,19-20,23-24,26,29,35H,10-16,18H2,1H3,(H,36,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50061271
PNG
((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1 |TLB:25:17:24:21.22.20,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,15:16:24:21.22.20|
Show InChI InChI=1S/C33H37ClN4O6/c1-33(16-21-17-35-28-5-3-2-4-27(21)28,36-32(42)44-38-23-11-19-10-20(13-23)14-24(38)12-19)31(41)37-18-26(15-29(37)30(39)40)43-25-8-6-22(34)7-9-25/h2-9,17,19-20,23-24,26,29,35H,10-16,18H2,1H3,(H,36,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50281671
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini


Bioorg Med Chem Lett 3: 851-854 (1993)


Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50286895
PNG
(1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-pyrazol-3-yl)-3...)
Show SMILES Cc1cccc(NCNC2N=C(c3ccn[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:10|
Show InChI InChI=1S/C26H30N6O2/c1-17-8-7-9-18(14-17)27-16-28-24-25(34)32(15-22(33)26(2,3)4)21-11-6-5-10-19(21)23(30-24)20-12-13-29-31-20/h5-14,24,27-28H,15-16H2,1-4H3,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50281671
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini


Bioorg Med Chem Lett 3: 851-854 (1993)


Article DOI: 10.1016/S0960-894X(00)80679-4
BindingDB Entry DOI: 10.7270/Q2J9669G
More data for this
Ligand-Target Pair
<<  First   |  Previous   |  Displayed 51 to 100 (of 333 total )  |  Next  |  Last  >>
Jump to: