BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' AND taxid = 10141   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50187377
PNG
(CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfona...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to cholecystokinin receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50380728
PNG
(CHEMBL2017835)
Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1
Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I]-BDZ-1 from rat CCK1R Ala-317,321,325 non dimerizing mutant expressed in COS cells after 60 mins by scintillation counter


J Med Chem 58: 9562-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01110
BindingDB Entry DOI: 10.7270/Q29K4D33
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I]-BDZ-1 from rat CCK1R Ala-317,321,325 non dimerizing mutant expressed in COS cells after 60 mins by scintillation counter


J Med Chem 58: 9562-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01110
BindingDB Entry DOI: 10.7270/Q29K4D33
More data for this
Ligand-Target Pair
Cholecystokinin receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2n/an/an/an/a



Roche Products Ltd

Curated by ChEMBL


Assay Description
Concentration of compound that induced 50% of the maximal contraction in guinea pig gallbladder tissue when tested in vitro


Bioorg Med Chem Lett 7: 429-32 (1997)


BindingDB Entry DOI: 10.7270/Q2DJ5G4B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50450537
PNG
(CHEMBL146206)
Show SMILES CC(C)N(C(=O)CN(C(=O)[C@@H](CCC(O)=O)NC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N4O5/c1-21(2)33(24-16-10-5-11-17-24)26(34)20-32(23-14-8-4-9-15-23)28(37)25(18-19-27(35)36)31-29(38)30-22-12-6-3-7-13-22/h3-17,21,25H,18-20H2,1-2H3,(H,35,36)(H2,30,31,38)/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 210n/an/an/an/a



Roche Products Ltd

Curated by ChEMBL


Assay Description
Concentration of compound that induced 50% of the maximal contraction in guinea pig gallbladder tissue when tested in vitro


Bioorg Med Chem Lett 7: 429-32 (1997)


BindingDB Entry DOI: 10.7270/Q2DJ5G4B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50450535
PNG
(CHEMBL421778)
Show SMILES CC(C)N(C(=O)CN(C(=O)CNC(=O)Nc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c1-20(2)30(23-16-10-5-11-17-23)25(32)19-29(22-14-8-4-9-15-22)24(31)18-27-26(33)28-21-12-6-3-7-13-21/h3-17,20H,18-19H2,1-2H3,(H2,27,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/an/an/a 300n/an/an/an/a



Roche Products Ltd

Curated by ChEMBL


Assay Description
Concentration of compound that induced 50% of the maximal contraction in guinea pig gallbladder tissue when tested in vitro


Bioorg Med Chem Lett 7: 429-32 (1997)


BindingDB Entry DOI: 10.7270/Q2DJ5G4B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50450536
PNG
(CHEMBL357983)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN(C(=O)[C@@H](CCC(O)=O)NC(=O)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O6/c1-21(2)34(24-14-16-25(40-3)17-15-24)27(35)20-33(23-12-8-5-9-13-23)29(38)26(18-19-28(36)37)32-30(39)31-22-10-6-4-7-11-22/h4-17,21,26H,18-20H2,1-3H3,(H,36,37)(H2,31,32,39)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 110n/an/an/an/a



Roche Products Ltd

Curated by ChEMBL


Assay Description
Concentration of compound that induced 50% of the maximal contraction in guinea pig gallbladder tissue when tested in vitro


Bioorg Med Chem Lett 7: 429-32 (1997)


BindingDB Entry DOI: 10.7270/Q2DJ5G4B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50215056
PNG
(CHEMBL346160)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN(C(=O)[C@H](CCC(O)=O)NC(=O)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O6/c1-21(2)34(24-14-16-25(40-3)17-15-24)27(35)20-33(23-12-8-5-9-13-23)29(38)26(18-19-28(36)37)32-30(39)31-22-10-6-4-7-11-22/h4-17,21,26H,18-20H2,1-3H3,(H,36,37)(H2,31,32,39)/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 5.60E+3n/an/an/an/a



Roche Products Ltd

Curated by ChEMBL


Assay Description
Concentration of compound that induced 50% of the maximal contraction in guinea pig gallbladder tissue when tested in vitro


Bioorg Med Chem Lett 7: 429-32 (1997)


BindingDB Entry DOI: 10.7270/Q2DJ5G4B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 1.60E+3n/an/an/an/a



Roche Products Ltd

Curated by ChEMBL


Assay Description
Concentration of compound that induced 50% of the maximal contraction in guinea pig gallbladder tissue when tested in vitro


Bioorg Med Chem Lett 7: 429-32 (1997)


BindingDB Entry DOI: 10.7270/Q2DJ5G4B
More data for this
Ligand-Target Pair