BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 579 hits of ki for UniProtKB: P32239   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50045797
PNG
(2-[3-(4-Chloro-phenyl)-ureido]-3-(1H-indol-3-yl)-2...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H27ClN4O2/c1-27(17-20-18-30-24-10-6-5-9-23(20)24,25(33)29-16-15-19-7-3-2-4-8-19)32-26(34)31-22-13-11-21(28)12-14-22/h2-14,18,30H,15-17H2,1H3,(H,29,33)(H2,31,32,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>0.000100n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50281664
PNG
(CHEMBL262894 | p-Tyr(SO3Na)-gNle-mGly-Trp-(N-Me)Nl...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS([O-])(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H61N9O13S/c1-3-5-15-35(53-43(61)33(48)22-29-18-20-31(21-19-29)69-70(66,67)68)44(62)51-27-40(57)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(64)54-36(16-6-4-2)45(63)56-39(25-41(58)59)47(65)55-37(42(49)60)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,60)(H,51,62)(H,52,57)(H,53,61)(H,54,64)(H,55,65)(H,56,63)(H,58,59)(H,66,67,68)/p-1/t33-,35-,36-,37-,38-,39-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50411339
PNG
(CHEMBL227276)
Show SMILES O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |t:4|
Show InChI InChI=1S/C31H34N6O5/c38-26(20-9-4-5-10-20)18-36-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)34-37(31(36)41)19-27(39)32-23-14-8-13-22(17-23)29-33-30(40)42-35-29/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,32,39)(H,33,35,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50046128
PNG
(2-[2-(2-{2-[2-{2-[3-Carboxy-2-(2-methylamino-3-phe...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H56N8O15S/c1-3-5-10-29(39(58)48-31(41(60)50-33(42(61)62)20-36(54)55)17-23-13-15-25(16-14-23)66(63,64)65)46-34(51)22-45-38(57)32(18-24-21-44-28-12-8-7-9-26(24)28)49-40(59)30(11-6-4-2)47-37(56)27(43)19-35(52)53/h7-9,12-16,21,27,29-33,44H,3-6,10-11,17-20,22,43H2,1-2H3,(H,45,57)(H,46,51)(H,47,56)(H,48,58)(H,49,59)(H,50,60)(H,52,53)(H,54,55)(H,61,62)(H,63,64,65)/t27-,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.130n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50056102
PNG
((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...)
Show SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:12|
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50092393
PNG
(3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...)
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)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O15S/c1-7-9-19-38(58-48(68)40(61-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-20-15-14-18-36(34)37)51(71)62(6)43(21-10-8-2)50(70)60-41(29-45(64)65)49(69)59-39(46(54)66)26-32-16-12-11-13-17-32/h11-18,20,22-25,30,38-43,55H,7-10,19,21,26-29,31H2,1-6H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,68)(H,59,69)(H,60,70)(H,61,72)(H,64,65)(H,73,74,75)/t38-,39-,40-,41-,42-,43-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.150n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50016504
PNG
((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472889
PNG
(CHEMBL415240)
Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(CO)c4)C1=O)(C2)C3 |TLB:8:1:44:6.9.5,8:6:44:1.43.2,THB:2:3:9:1.43.8,2:1:9:3.44.5|
Show InChI InChI=1S/C34H36N4O4/c39-20-22-7-6-8-26(16-22)35-33(42)36-30-31(40)37(21-34-17-23-13-24(18-34)15-25(14-23)19-34)28-11-4-5-12-29(28)38(32(30)41)27-9-2-1-3-10-27/h1-12,16,23-25,30,39H,13-15,17-21H2,(H2,35,36,42)/t23-,24+,25-,30?,34?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.178n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50411341
PNG
(CHEMBL226583)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O)C1CCCCC1 |c:15|
Show InChI InChI=1S/C30H34N6O5/c1-30(2,3)24(37)17-35-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-36(29(35)40)18-25(38)31-21-13-9-12-20(16-21)27-32-28(39)41-34-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,31,38)(H,32,34,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472863
PNG
(CHEMBL333979)
Show SMILES CC(C)CCN1c2ccccc2N(c2ccccc2F)C(=O)C(NC(=O)Nc2cccc(c2)N(C)C)C1=O
Show InChI InChI=1S/C29H32FN5O3/c1-19(2)16-17-34-24-14-7-8-15-25(24)35(23-13-6-5-12-22(23)30)28(37)26(27(34)36)32-29(38)31-20-10-9-11-21(18-20)33(3)4/h5-15,18-19,26H,16-17H2,1-4H3,(H2,31,32,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.209n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM21135
PNG
((3S)-3-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-amino-3...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H59N9O10/c1-3-4-15-38(45(64)54-36(25-41(59)60)43(62)53-35(42(49)61)23-28-11-6-5-7-12-28)55(2)47(66)37(24-30-26-50-34-14-9-8-13-32(30)34)52-40(58)27-51-44(63)39-16-10-21-56(39)46(65)33(48)22-29-17-19-31(57)20-18-29/h5-9,11-14,17-20,26,33,35-39,50,57H,3-4,10,15-16,21-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,64)(H,59,60)/t33-,35-,36-,37-,38-,39-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472878
PNG
(CHEMBL331872)
Show SMILES Fc1ccccc1N1c2ccccc2N(CCC2CCCC2)C(=O)C(NC(=O)Nc2cccc(c2)C2N=NN=N2)C1=O |c:40,42|
Show InChI InChI=1S/C30H29FN8O3/c31-22-12-3-4-13-23(22)39-25-15-6-5-14-24(25)38(17-16-19-8-1-2-9-19)28(40)26(29(39)41)33-30(42)32-21-11-7-10-20(18-21)27-34-36-37-35-27/h3-7,10-15,18-19,26-27H,1-2,8-9,16-17H2,(H2,32,33,42)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.224n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.230n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50002875
PNG
(CHEMBL388144)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2ccc(o2)C(O)=O)C1=O)C1CCCCC1 |c:15|
Show InChI InChI=1S/C33H36N4O6/c1-33(2,3)28(38)19-36-25-15-8-7-14-24(25)30(21-10-5-4-6-11-21)35-37(32(36)42)20-29(39)34-23-13-9-12-22(18-23)26-16-17-27(43-26)31(40)41/h7-9,12-18,21H,4-6,10-11,19-20H2,1-3H3,(H,34,39)(H,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472863
PNG
(CHEMBL333979)
Show SMILES CC(C)CCN1c2ccccc2N(c2ccccc2F)C(=O)C(NC(=O)Nc2cccc(c2)N(C)C)C1=O
Show InChI InChI=1S/C29H32FN5O3/c1-19(2)16-17-34-24-14-7-8-15-25(24)35(23-13-6-5-12-22(23)30)28(37)26(27(34)36)32-29(38)31-20-10-9-11-21(18-20)33(3)4/h5-15,18-19,26H,16-17H2,1-4H3,(H2,31,32,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.251n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.280n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50411340
PNG
(CHEMBL387948)
Show SMILES OC(=O)Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:14|
Show InChI InChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.280n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472898
PNG
(CHEMBL332902)
Show SMILES CC(C)(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C2N=NN=N2)C1=O |c:37,39|
Show InChI InChI=1S/C29H30N8O3/c1-29(2,3)16-17-36-22-14-7-8-15-23(22)37(21-12-5-4-6-13-21)27(39)24(26(36)38)31-28(40)30-20-11-9-10-19(18-20)25-32-34-35-33-25/h4-15,18,24-25H,16-17H2,1-3H3,(H2,30,31,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.288n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472855
PNG
(CHEMBL331468)
Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(N)c4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
Show InChI InChI=1S/C33H35N5O3/c34-24-7-6-8-25(16-24)35-32(41)36-29-30(39)37(20-33-17-21-13-22(18-33)15-23(14-21)19-33)27-11-4-5-12-28(27)38(31(29)40)26-9-2-1-3-10-26/h1-12,16,21-23,29H,13-15,17-20,34H2,(H2,35,36,41)/t21-,22+,23-,29?,33?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.295n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50411344
PNG
(CHEMBL389711)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2ccc3ccn(CC(O)=O)c3c2)C1=O)C1CCCCC1 |c:15|
Show InChI InChI=1S/C32H37N5O5/c1-32(2,3)27(38)18-36-25-12-8-7-11-24(25)30(22-9-5-4-6-10-22)34-37(31(36)42)19-28(39)33-23-14-13-21-15-16-35(20-29(40)41)26(21)17-23/h7-8,11-17,22H,4-6,9-10,18-20H2,1-3H3,(H,33,39)(H,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor


Bioorg Med Chem Lett 3: 799-802 (1993)


Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472870
PNG
(CHEMBL331975)
Show SMILES CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)18-19-34-24-16-9-10-17-25(24)35(22-13-7-6-8-14-22)28(37)26(27(34)36)32-29(38)31-21-12-11-15-23(20-21)33(4)5/h6-17,20,26H,18-19H2,1-5H3,(H2,31,32,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.302n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50411342
PNG
(CHEMBL227333)
Show SMILES OC(=O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15|
Show InChI InChI=1S/C31H36N4O5S/c36-27(21-9-4-5-10-21)18-34-26-16-7-6-15-25(26)30(22-11-2-1-3-12-22)33-35(31(34)40)19-28(37)32-23-13-8-14-24(17-23)41-20-29(38)39/h6-8,13-17,21-22H,1-5,9-12,18-20H2,(H,32,37)(H,38,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.330n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472884
PNG
(CHEMBL121021)
Show SMILES CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
Show InChI InChI=1S/C28H29FN4O3S/c1-18(2)15-16-32-23-13-6-7-14-24(23)33(22-12-5-4-11-21(22)29)27(35)25(26(32)34)31-28(36)30-19-9-8-10-20(17-19)37-3/h4-14,17-18,25H,15-16H2,1-3H3,(H2,30,31,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.331n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50411336
PNG
(CHEMBL227330)
Show SMILES OC(=O)CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15|
Show InChI InChI=1S/C32H38N4O5/c37-28(23-10-4-5-11-23)20-35-27-16-7-6-15-26(27)31(24-12-2-1-3-13-24)34-36(32(35)41)21-29(38)33-25-14-8-9-22(19-25)17-18-30(39)40/h6-9,14-16,19,23-24H,1-5,10-13,17-18,20-21H2,(H,33,38)(H,39,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




J Med Chem 40: 2706-25 (1997)


Article DOI: 10.1021/jm970265x
BindingDB Entry DOI: 10.7270/Q27M06F9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.355n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition by displacing [3H]CCK-8S against human Cholecystokinin type B receptor


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50002880
PNG
(CHEMBL437736)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2nc(co2)C(O)=O)C1=O)C1CCCCC1 |c:15|
Show InChI InChI=1S/C32H35N5O6/c1-32(2,3)26(38)17-36-25-15-8-7-14-23(25)28(20-10-5-4-6-11-20)35-37(31(36)42)18-27(39)33-22-13-9-12-21(16-22)29-34-24(19-43-29)30(40)41/h7-9,12-16,19-20H,4-6,10-11,17-18H2,1-3H3,(H,33,39)(H,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.360n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472854
PNG
(CHEMBL330977)
Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4ccccc4)C1=O)(C2)C3 |TLB:8:1:42:6.9.5,8:6:42:1.41.2,THB:2:3:9:1.41.8,2:1:9:3.42.5|
Show InChI InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22-,23+,24-,29?,33?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.372n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition by displacing [3H]CCK-8S against human Cholecystokinin type B receptor


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50214807
PNG
(CHEMBL320624)
Show SMILES Fc1ccc(NC(=O)NC2C(=O)N(CC(=O)N3CC4CCC(CC4)C3)c3ccccc3N(c3ccccc3F)C2=O)cc1 |(7.19,-15.84,;7.2,-14.3,;8.53,-13.53,;8.53,-12,;7.2,-11.23,;7.2,-9.69,;5.87,-8.92,;5.87,-7.39,;4.55,-9.69,;3.22,-8.92,;3.15,-7.36,;4.49,-6.61,;1.79,-6.46,;2.01,-4.83,;.72,-3.83,;-.79,-4.45,;.94,-2.22,;2.59,-1.75,;3.29,-.52,;2.59,.99,;.89,1.35,;-.46,.21,;.64,-.87,;1.72,.22,;-.32,-1.45,;.22,-6.97,;-.84,-5.83,;-2.37,-6.17,;-2.83,-7.67,;-1.77,-8.81,;-.25,-8.47,;.57,-9.58,;-.2,-10.9,;.57,-12.23,;-.2,-13.56,;-1.74,-13.56,;-2.49,-12.24,;-1.74,-10.92,;-2.51,-9.58,;2.17,-9.76,;2.57,-11.24,;5.87,-12,;5.87,-13.53,)|
Show InChI InChI=1S/C32H31F2N5O4/c33-22-13-15-23(16-14-22)35-32(43)36-29-30(41)38(19-28(40)37-17-20-9-10-21(18-37)12-11-20)26-7-3-4-8-27(26)39(31(29)42)25-6-2-1-5-24(25)34/h1-8,13-16,20-21,29H,9-12,17-19H2,(H2,35,36,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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


TBA

Assay Description
Inhibition of specific binding of [125I]-ET-1 (endothelin 1) to the endothelin A receptor of rat aorta membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PZ5C0X
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50285623
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N)c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(8.02,-5.46,;9.37,-6.2,;10.7,-5.42,;10.68,-3.88,;11.96,-4.76,;13.17,-3.83,;12.66,-2.38,;13.41,-1.04,;12.62,.28,;11.08,.25,;10.33,-1.09,;11.13,-2.4,;9.4,-7.74,;8.09,-8.54,;8.12,-10.08,;6.74,-7.8,;5.46,-8.64,;5.45,-10.17,;4.05,-10.52,;2.72,-10.03,;1.53,-11.3,;3.03,-10.88,;4.43,-11.45,;3.02,-9.29,;4.06,-8.06,;2.72,-8.54,;10.47,-7.28,;12.01,-7.27,;10.51,-8.82,;11.86,-9.56,;11.89,-11.1,;10.57,-11.9,;10.61,-13.44,;9.22,-11.17,;13.17,-8.76,;14.52,-9.5,;14.55,-11.04,;15.9,-11.78,;17.22,-10.99,;18.57,-11.73,;17.18,-9.44,;18.5,-8.64,;15.83,-8.7,)|
Show InChI InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21?,22?,24-,30?,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined


Bioorg Med Chem Lett 5: 2501-2506 (1995)


Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.


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


(Homo sapiens (Human))
BDBM50281665
PNG
(Boc-Phe(CH2-SO3Na)-gNle-mCIy-Trp-(N-Me)Nle-Asp-Phe...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O14S/c1-6-8-18-38(58-49(69)41(62-52(72)76-53(3,4)5)26-33-21-23-34(24-22-33)31-77(73,74)75)47(67)56-30-44(63)57-42(27-35-29-55-37-20-14-13-17-36(35)37)50(70)59-39(19-9-7-2)48(68)61-43(28-45(64)65)51(71)60-40(46(54)66)25-32-15-11-10-12-16-32/h10-17,20-24,29,38-43,55H,6-9,18-19,25-28,30-31H2,1-5H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,69)(H,59,70)(H,60,71)(H,61,68)(H,62,72)(H,64,65)(H,73,74,75)/p-1/t38-,39-,40-,41-,42-,43-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
0.460n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472887
PNG
(CHEMBL330773)
Show SMILES CSc1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3)C2=O)c1
Show InChI InChI=1S/C29H32N4O3S/c1-29(2,3)17-18-32-23-15-8-9-16-24(23)33(21-12-6-5-7-13-21)27(35)25(26(32)34)31-28(36)30-20-11-10-14-22(19-20)37-4/h5-16,19,25H,17-18H2,1-4H3,(H2,30,31,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50061266
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(cc1)[N+]([O-])=O |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/C33H37N5O8/c1-33(16-21-17-34-28-5-3-2-4-27(21)28,35-32(42)46-37-23-11-19-10-20(13-23)14-24(37)12-19)31(41)36-18-26(15-29(36)30(39)40)45-25-8-6-22(7-9-25)38(43)44/h2-9,17,19-20,23-24,26,29,34H,10-16,18H2,1H3,(H,35,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity (affinity state 1) for Cholecystokinin type B receptor, was determined using CHO cells


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


(Homo sapiens (Human))
BDBM50092408
PNG
(CHEMBL120150 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N6O10S/c1-3-4-14-27(32(45)38-25(17-29(41)42)31(44)37-24(30(34)43)15-20-10-6-5-7-11-20)39(2)33(46)26(36-28(40)19-50(47,48)49)16-21-18-35-23-13-9-8-12-22(21)23/h5-13,18,24-27,35H,3-4,14-17,19H2,1-2H3,(H2,34,43)(H,36,40)(H,37,44)(H,38,45)(H,41,42)(H,47,48,49)/t24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.540n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.560n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 32: 1184-90 (1989)


BindingDB Entry DOI: 10.7270/Q2ZG6R7N
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472864
PNG
(CHEMBL402702)
Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)C(=O)OCCN4CCOCC4)C1=O)(C2)C3 |TLB:5:3:52:6.9.8,THB:2:3:9:1.52.8,2:1:9:3.53.5,5:6:52:3.53.2|
Show InChI InChI=1S/C40H45N5O6/c46-36-35(42-39(49)41-31-8-6-7-30(22-31)38(48)51-18-15-43-13-16-50-17-14-43)37(47)45(32-9-2-1-3-10-32)34-12-5-4-11-33(34)44(36)26-40-23-27-19-28(24-40)21-29(20-27)25-40/h1-12,22,27-29,35H,13-21,23-26H2,(H2,41,42,49)/t27-,28+,29-,35?,40?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.562n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472853
PNG
(CHEMBL331244)
Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(O)c4)C1=O)(C2)C3 |TLB:8:1:43:6.9.5,8:6:43:1.42.2,THB:2:3:9:1.42.8,2:1:9:3.43.5|
Show InChI InChI=1S/C33H34N4O4/c38-26-10-6-7-24(16-26)34-32(41)35-29-30(39)36(20-33-17-21-13-22(18-33)15-23(14-21)19-33)27-11-4-5-12-28(27)37(31(29)40)25-8-2-1-3-9-25/h1-12,16,21-23,29,38H,13-15,17-20H2,(H2,34,35,41)/t21-,22+,23-,29?,33?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.575n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50133267
PNG
(CHEMBL132314 | H-Tyr-D-Nle-Gly-Trp-N-MeNle-Asp-Phe...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H63N9O10/c1-4-6-16-36(54-44(63)34(49)23-30-19-21-32(58)22-20-30)45(64)52-28-41(59)53-39(25-31-27-51-35-17-12-11-15-33(31)35)48(67)57(3)40(18-7-5-2)47(66)56-38(26-42(60)61)46(65)55-37(43(50)62)24-29-13-9-8-10-14-29/h8-15,17,19-22,27,34,36-40,51,58H,4-7,16,18,23-26,28,49H2,1-3H3,(H2,50,62)(H,52,64)(H,53,59)(H,54,63)(H,55,65)(H,56,66)(H,60,61)/t34-,36-,37-,38-,39-,40-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor was determined


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472876
PNG
(CHEMBL332568)
Show SMILES CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
Show InChI InChI=1S/C30H34FN5O3/c1-30(2,3)17-18-35-24-15-8-9-16-25(24)36(23-14-7-6-13-22(23)31)28(38)26(27(35)37)33-29(39)32-20-11-10-12-21(19-20)34(4)5/h6-16,19,26H,17-18H2,1-5H3,(H2,32,33,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.603n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.640n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]pCCK-8 binding to Guinea pig cortex membrane Cholecystokinin type B receptor


J Med Chem 40: 647-58 (1997)


Article DOI: 10.1021/jm9603072
BindingDB Entry DOI: 10.7270/Q2PG1SDX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
0.640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain


Bioorg Med Chem Lett 3: 847-850 (1993)


Article DOI: 10.1016/S0960-894X(00)80678-2
BindingDB Entry DOI: 10.7270/Q2P26Z28
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50472885
PNG
(CHEMBL118622)
Show SMILES CC(C)(C)CCN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C29H29N5O3/c1-29(2,3)16-17-33-23-14-7-8-15-24(23)34(22-12-5-4-6-13-22)27(36)25(26(33)35)32-28(37)31-21-11-9-10-20(18-21)19-30/h4-15,18,25H,16-17H2,1-3H3,(H2,31,32,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.646n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50411345
PNG
(CHEMBL389639)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(SCC(O)=O)c2)C1=O)C1CCCCC1 |c:15|
Show InChI InChI=1S/C30H36N4O5S/c1-30(2,3)25(35)17-33-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)32-34(29(33)39)18-26(36)31-21-12-9-13-22(16-21)40-19-27(37)38/h7-9,12-16,20H,4-6,10-11,17-19H2,1-3H3,(H,31,36)(H,37,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.650n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex.


Bioorg Med Chem Lett 3: 885-888 (1993)


Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50002878
PNG
(CHEMBL227275)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2csc(n2)C(O)=O)C1=O)C1CCCCC1 |c:15|
Show InChI InChI=1S/C32H35N5O5S/c1-32(2,3)26(38)17-36-25-15-8-7-14-23(25)28(20-10-5-4-6-11-20)35-37(31(36)42)18-27(39)33-22-13-9-12-21(16-22)24-19-43-29(34-24)30(40)41/h7-9,12-16,19-20H,4-6,10-11,17-18H2,1-3H3,(H,33,39)(H,40,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.660n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 579 total )  |  Next  |  Last  >>
Jump to: