Found 45 hits with Last Name = 'foucaud' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cholecystokinin receptor type A
(RAT) | BDBM50154434
((S)-2-((4S,5S)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@H]1C2[C@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25-,26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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
(Homo sapiens (Human)) | BDBM50154426
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.22,21.23,1.0,TLB:37:38:35.36.41:42,34:35:38.37.44:40.41.42,34:35:42:38.44.39,THB:37:36:42:38.44.39,39:38:35:40.41.42,39:40:35:38.37.44,(3.63,-.44,;3.63,1.06,;2.28,1.84,;.94,1.06,;-.4,1.84,;-.4,3.41,;.94,4.18,;2.28,3.41,;3.63,4.18,;3.63,5.73,;4.99,3.41,;6.36,4.18,;6.33,5.75,;4.99,6.52,;4.99,8.06,;6.33,8.84,;7.68,8.08,;7.7,6.52,;4.99,1.84,;6.36,1.05,;.94,-.51,;-.4,-1.27,;-1.74,-.49,;-3,-1.15,;-3.47,-2.48,;-4.89,-2.44,;-5.29,-1.08,;-6.57,-.49,;-6.68,.93,;-5.52,1.72,;-4.25,1.12,;-4.13,-.28,;-.4,-2.83,;.94,-3.6,;-1.74,-3.6,;-1.74,-5.17,;-1.74,-6.65,;-2.75,-7.9,;-4.11,-7.35,;-5.57,-7.74,;-4.41,-6.52,;-3.11,-6.99,;-4.41,-5.07,;-3.11,-4.6,;-4.13,-5.81,)| Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells |
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 | |
Cholecystokinin receptor type A
(RAT) | BDBM21147
((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
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154435
((S)-2-((S)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25-,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154428
((S)-2-[(S)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-29(38)26(17-20-19-32-24-10-7-6-9-23(20)24)33-25-11-8-16-35-27(25)18-28(37)36(30(35)39)22-14-12-21(13-15-22)34(4)5/h6-7,9-10,12-15,19,25-27,32-33H,8,11,16-18H2,1-5H3/t25-,26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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
((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
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UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154438
((S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25+,26?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50154426
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.22,21.23,1.0,TLB:37:38:35.36.41:42,34:35:38.37.44:40.41.42,34:35:42:38.44.39,THB:37:36:42:38.44.39,39:38:35:40.41.42,39:40:35:38.37.44,(3.63,-.44,;3.63,1.06,;2.28,1.84,;.94,1.06,;-.4,1.84,;-.4,3.41,;.94,4.18,;2.28,3.41,;3.63,4.18,;3.63,5.73,;4.99,3.41,;6.36,4.18,;6.33,5.75,;4.99,6.52,;4.99,8.06,;6.33,8.84,;7.68,8.08,;7.7,6.52,;4.99,1.84,;6.36,1.05,;.94,-.51,;-.4,-1.27,;-1.74,-.49,;-3,-1.15,;-3.47,-2.48,;-4.89,-2.44,;-5.29,-1.08,;-6.57,-.49,;-6.68,.93,;-5.52,1.72,;-4.25,1.12,;-4.13,-.28,;-.4,-2.83,;.94,-3.6,;-1.74,-3.6,;-1.74,-5.17,;-1.74,-6.65,;-2.75,-7.9,;-4.11,-7.35,;-5.57,-7.74,;-4.41,-6.52,;-3.11,-6.99,;-4.41,-5.07,;-3.11,-4.6,;-4.13,-5.81,)| Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 276 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154421
((S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)Show SMILES O=C(OC1C2CC3CC(C2)CC1C3)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O |wD:25.29,13.28,TLB:9:4:12:8.10.7,9:8:3.4.5:12,THB:2:3:6.5.12:8.9.10,2:3:12:8.10.7,7:6:3:8.9.10,7:8:3:6.5.12,(1.06,-3.69,;-.32,-2.89,;-1.69,-3.68,;-1.69,-5.28,;-1.71,-6.8,;-3.11,-7.15,;-4.41,-6.66,;-5.62,-7.92,;-4.11,-7.52,;-2.72,-8.08,;-4.14,-5.94,;-3.09,-4.7,;-4.44,-5.19,;-.32,-1.3,;-1.69,-.49,;-2.99,-1.16,;-3.47,-2.54,;-4.93,-2.5,;-5.33,-1.1,;-6.65,-.49,;-6.77,.95,;-5.56,1.77,;-4.25,1.14,;-4.14,-.29,;1.06,-.51,;1.06,1.09,;-.34,1.89,;-.34,3.48,;1.06,4.28,;2.43,3.48,;2.43,1.89,;3.8,1.09,;5.18,1.89,;6.57,1.07,;5.18,3.48,;6.57,4.28,;6.57,5.82,;7.92,6.6,;7.92,8.11,;6.59,8.88,;5.24,8.11,;5.24,6.6,;3.8,4.28,;3.8,5.87,)| Show InChI InChI=1S/C36H42N4O4/c41-33-19-32-30(11-6-12-39(32)36(43)40(33)21-22-7-2-1-3-8-22)38-31(18-27-20-37-29-10-5-4-9-28(27)29)35(42)44-34-25-14-23-13-24(16-25)17-26(34)15-23/h1-5,7-10,20,23-26,30-32,34,37-38H,6,11-19,21H2/t23?,24?,25?,26?,30-,31+,32?,34?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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) | BDBM50154427
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25-,26+,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 723 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells |
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) | BDBM50154429
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C32H41N5O4/c1-20-28-26(12-9-17-36(28)31(40)37(29(20)38)23-15-13-22(14-16-23)35(5)6)34-27(30(39)41-32(2,3)4)18-21-19-33-25-11-8-7-10-24(21)25/h7-8,10-11,13-16,19-20,26-28,33-34H,9,12,17-18H2,1-6H3/t20-,26-,27+,28?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154427
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25-,26+,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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
(Homo sapiens (Human)) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells |
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
(Homo sapiens (Human)) | BDBM50154426
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.22,21.23,1.0,TLB:37:38:35.36.41:42,34:35:38.37.44:40.41.42,34:35:42:38.44.39,THB:37:36:42:38.44.39,39:38:35:40.41.42,39:40:35:38.37.44,(3.63,-.44,;3.63,1.06,;2.28,1.84,;.94,1.06,;-.4,1.84,;-.4,3.41,;.94,4.18,;2.28,3.41,;3.63,4.18,;3.63,5.73,;4.99,3.41,;6.36,4.18,;6.33,5.75,;4.99,6.52,;4.99,8.06,;6.33,8.84,;7.68,8.08,;7.7,6.52,;4.99,1.84,;6.36,1.05,;.94,-.51,;-.4,-1.27,;-1.74,-.49,;-3,-1.15,;-3.47,-2.48,;-4.89,-2.44,;-5.29,-1.08,;-6.57,-.49,;-6.68,.93,;-5.52,1.72,;-4.25,1.12,;-4.13,-.28,;-.4,-2.83,;.94,-3.6,;-1.74,-3.6,;-1.74,-5.17,;-1.74,-6.65,;-2.75,-7.9,;-4.11,-7.35,;-5.57,-7.74,;-4.41,-6.52,;-3.11,-6.99,;-4.41,-5.07,;-3.11,-4.6,;-4.13,-5.81,)| Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9-induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
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
(Homo sapiens (Human)) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9-induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
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) | BDBM50154432
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-29(38)26(17-20-19-32-24-10-7-6-9-23(20)24)33-25-11-8-16-35-27(25)18-28(37)36(30(35)39)22-14-12-21(13-15-22)34(4)5/h6-7,9-10,12-15,19,25-27,32-33H,8,11,16-18H2,1-5H3/t25-,26+,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50154421
((S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)Show SMILES O=C(OC1C2CC3CC(C2)CC1C3)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O |wD:25.29,13.28,TLB:9:4:12:8.10.7,9:8:3.4.5:12,THB:2:3:6.5.12:8.9.10,2:3:12:8.10.7,7:6:3:8.9.10,7:8:3:6.5.12,(1.06,-3.69,;-.32,-2.89,;-1.69,-3.68,;-1.69,-5.28,;-1.71,-6.8,;-3.11,-7.15,;-4.41,-6.66,;-5.62,-7.92,;-4.11,-7.52,;-2.72,-8.08,;-4.14,-5.94,;-3.09,-4.7,;-4.44,-5.19,;-.32,-1.3,;-1.69,-.49,;-2.99,-1.16,;-3.47,-2.54,;-4.93,-2.5,;-5.33,-1.1,;-6.65,-.49,;-6.77,.95,;-5.56,1.77,;-4.25,1.14,;-4.14,-.29,;1.06,-.51,;1.06,1.09,;-.34,1.89,;-.34,3.48,;1.06,4.28,;2.43,3.48,;2.43,1.89,;3.8,1.09,;5.18,1.89,;6.57,1.07,;5.18,3.48,;6.57,4.28,;6.57,5.82,;7.92,6.6,;7.92,8.11,;6.59,8.88,;5.24,8.11,;5.24,6.6,;3.8,4.28,;3.8,5.87,)| Show InChI InChI=1S/C36H42N4O4/c41-33-19-32-30(11-6-12-39(32)36(43)40(33)21-22-7-2-1-3-8-22)38-31(18-27-20-37-29-10-5-4-9-28(27)29)35(42)44-34-25-14-23-13-24(16-25)17-26(34)15-23/h1-5,7-10,20,23-26,30-32,34,37-38H,6,11-19,21H2/t23?,24?,25?,26?,30-,31+,32?,34?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50154437
(CHEMBL414345 | Cholecystokinin-9)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)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/C55H74N14O17S3/c1-87-21-18-37(64-51(79)40(24-31-14-16-33(17-15-31)86-89(83,84)85)68-54(82)42(26-45(71)72)67-48(76)35(56)12-8-20-60-55(58)59)49(77)62-29-44(70)63-41(25-32-28-61-36-13-7-6-11-34(32)36)52(80)65-38(19-22-88-2)50(78)69-43(27-46(73)74)53(81)66-39(47(57)75)23-30-9-4-3-5-10-30/h3-7,9-11,13-17,28,35,37-43,61H,8,12,18-27,29,56H2,1-2H3,(H2,57,75)(H,62,77)(H,63,70)(H,64,79)(H,65,80)(H,66,81)(H,67,76)(H,68,82)(H,69,78)(H,71,72)(H,73,74)(H4,58,59,60)(H,83,84,85)/t35-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 3.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells |
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
(Homo sapiens (Human)) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9-induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
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) | BDBM50154438
((S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25+,26?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 6.15E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154436
((S)-2-[(4S,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C32H41N5O4/c1-20-28-26(12-9-17-36(28)31(40)37(29(20)38)23-15-13-22(14-16-23)35(5)6)34-27(30(39)41-32(2,3)4)18-21-19-33-25-11-8-7-10-24(21)25/h7-8,10-11,13-16,19-20,26-28,33-34H,9,12,17-18H2,1-6H3/t20-,26+,27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154426
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.22,21.23,1.0,TLB:37:38:35.36.41:42,34:35:38.37.44:40.41.42,34:35:42:38.44.39,THB:37:36:42:38.44.39,39:38:35:40.41.42,39:40:35:38.37.44,(3.63,-.44,;3.63,1.06,;2.28,1.84,;.94,1.06,;-.4,1.84,;-.4,3.41,;.94,4.18,;2.28,3.41,;3.63,4.18,;3.63,5.73,;4.99,3.41,;6.36,4.18,;6.33,5.75,;4.99,6.52,;4.99,8.06,;6.33,8.84,;7.68,8.08,;7.7,6.52,;4.99,1.84,;6.36,1.05,;.94,-.51,;-.4,-1.27,;-1.74,-.49,;-3,-1.15,;-3.47,-2.48,;-4.89,-2.44,;-5.29,-1.08,;-6.57,-.49,;-6.68,.93,;-5.52,1.72,;-4.25,1.12,;-4.13,-.28,;-.4,-2.83,;.94,-3.6,;-1.74,-3.6,;-1.74,-5.17,;-1.74,-6.65,;-2.75,-7.9,;-4.11,-7.35,;-5.57,-7.74,;-4.41,-6.52,;-3.11,-6.99,;-4.41,-5.07,;-3.11,-4.6,;-4.13,-5.81,)| Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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) | BDBM50154433
((R)-2-((4S,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25+,26+,27?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154431
((S)-2-[2-(4-Dimethylamino-phenyl)-4-methyl-1,3-dio...)Show SMILES CC1C2C(CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C32H41N5O4/c1-20-28-26(12-9-17-36(28)31(40)37(29(20)38)23-15-13-22(14-16-23)35(5)6)34-27(30(39)41-32(2,3)4)18-21-19-33-25-11-8-7-10-24(21)25/h7-8,10-11,13-16,19-20,26-28,33-34H,9,12,17-18H2,1-6H3/t20?,26?,27-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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) | BDBM50154436
((S)-2-[(4S,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C32H41N5O4/c1-20-28-26(12-9-17-36(28)31(40)37(29(20)38)23-15-13-22(14-16-23)35(5)6)34-27(30(39)41-32(2,3)4)18-21-19-33-25-11-8-7-10-24(21)25/h7-8,10-11,13-16,19-20,26-28,33-34H,9,12,17-18H2,1-6H3/t20-,26+,27-,28?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50154425
((R)-2-((4R,5S)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25+,26-,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154433
((R)-2-((4S,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25+,26+,27?/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154432
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-29(38)26(17-20-19-32-24-10-7-6-9-23(20)24)33-25-11-8-16-35-27(25)18-28(37)36(30(35)39)22-14-12-21(13-15-22)34(4)5/h6-7,9-10,12-15,19,25-27,32-33H,8,11,16-18H2,1-5H3/t25-,26+,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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) | BDBM50154431
((S)-2-[2-(4-Dimethylamino-phenyl)-4-methyl-1,3-dio...)Show SMILES CC1C2C(CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C32H41N5O4/c1-20-28-26(12-9-17-36(28)31(40)37(29(20)38)23-15-13-22(14-16-23)35(5)6)34-27(30(39)41-32(2,3)4)18-21-19-33-25-11-8-7-10-24(21)25/h7-8,10-11,13-16,19-20,26-28,33-34H,9,12,17-18H2,1-6H3/t20?,26?,27-,28?/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50154428
((S)-2-[(S)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-29(38)26(17-20-19-32-24-10-7-6-9-23(20)24)33-25-11-8-16-35-27(25)18-28(37)36(30(35)39)22-14-12-21(13-15-22)34(4)5/h6-7,9-10,12-15,19,25-27,32-33H,8,11,16-18H2,1-5H3/t25-,26-,27?/m0/s1 | PDB
KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154425
((R)-2-((4R,5S)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25+,26-,27?/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154424
((S)-2-((4S,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25+,26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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) | BDBM50154424
((S)-2-((4S,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25+,26-,27?/m0/s1 | PDB
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| CHEMBL
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50154434
((S)-2-((4S,5S)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@H]1C2[C@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25-,26-,27?/m0/s1 | PDB
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| CHEMBL
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50154435
((S)-2-((S)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25-,26?/m0/s1 | PDB
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| CHEMBL
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50154429
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C32H41N5O4/c1-20-28-26(12-9-17-36(28)31(40)37(29(20)38)23-15-13-22(14-16-23)35(5)6)34-27(30(39)41-32(2,3)4)18-21-19-33-25-11-8-7-10-24(21)25/h7-8,10-11,13-16,19-20,26-28,33-34H,9,12,17-18H2,1-6H3/t20-,26-,27+,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas 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
(Homo sapiens (Human)) | BDBM50154422
((S)-2-[(R)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:14.23,22.24,TLB:42:37:45:41.43.40,42:41:36.37.38:45,THB:40:41:36:39.38.45,40:39:36:41.43.42,35:36:39.38.45:41.43.42,35:36:45:41.43.40,(10.95,5.65,;9.67,6.42,;9.67,7.89,;8.36,5.65,;7,6.45,;5.65,5.65,;5.66,4.11,;7,3.32,;8.36,4.09,;4.31,3.33,;4.31,1.78,;5.66,.99,;2.97,1.01,;1.63,1.78,;.28,1.01,;-1.06,1.78,;-1.06,3.33,;.28,4.11,;1.63,3.33,;2.97,4.11,;2.97,5.65,;.28,-.55,;-1.06,-1.32,;-2.39,-.54,;-3.64,-1.19,;-4.12,-2.52,;-5.52,-2.5,;-5.93,-1.13,;-7.2,-.53,;-7.31,.88,;-6.14,1.67,;-4.87,1.06,;-4.76,-.34,;-1.06,-2.86,;.28,-3.65,;-2.39,-3.63,;-2.39,-5.19,;-2.39,-6.68,;-3.76,-7.01,;-5.04,-6.53,;-6.2,-7.78,;-4.75,-7.37,;-3.4,-7.91,;-4.76,-5.83,;-3.74,-4.63,;-5.04,-5.1,)| Show InChI InChI=1S/C37H45N5O4/c1-40(2)27-9-11-28(12-10-27)42-34(43)20-33-31(8-5-13-41(33)37(42)45)39-32(19-26-21-38-30-7-4-3-6-29(26)30)36(44)46-35-24-15-22-14-23(17-24)18-25(35)16-22/h3-4,6-7,9-12,21-25,31-33,35,38-39H,5,8,13-20H2,1-2H3/t22?,23?,24?,25?,31-,32+,33?,35?/m1/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | 517 | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
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
(Homo sapiens (Human)) | BDBM50154426
((S)-2-((4R,5R)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.22,21.23,1.0,TLB:37:38:35.36.41:42,34:35:38.37.44:40.41.42,34:35:42:38.44.39,THB:37:36:42:38.44.39,39:38:35:40.41.42,39:40:35:38.37.44,(3.63,-.44,;3.63,1.06,;2.28,1.84,;.94,1.06,;-.4,1.84,;-.4,3.41,;.94,4.18,;2.28,3.41,;3.63,4.18,;3.63,5.73,;4.99,3.41,;6.36,4.18,;6.33,5.75,;4.99,6.52,;4.99,8.06,;6.33,8.84,;7.68,8.08,;7.7,6.52,;4.99,1.84,;6.36,1.05,;.94,-.51,;-.4,-1.27,;-1.74,-.49,;-3,-1.15,;-3.47,-2.48,;-4.89,-2.44,;-5.29,-1.08,;-6.57,-.49,;-6.68,.93,;-5.52,1.72,;-4.25,1.12,;-4.13,-.28,;-.4,-2.83,;.94,-3.6,;-1.74,-3.6,;-1.74,-5.17,;-1.74,-6.65,;-2.75,-7.9,;-4.11,-7.35,;-5.57,-7.74,;-4.41,-6.52,;-3.11,-6.99,;-4.41,-5.07,;-3.11,-4.6,;-4.13,-5.81,)| Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
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
(Homo sapiens (Human)) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
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
(Homo sapiens (Human)) | BDBM50154437
(CHEMBL414345 | Cholecystokinin-9)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)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/C55H74N14O17S3/c1-87-21-18-37(64-51(79)40(24-31-14-16-33(17-15-31)86-89(83,84)85)68-54(82)42(26-45(71)72)67-48(76)35(56)12-8-20-60-55(58)59)49(77)62-29-44(70)63-41(25-32-28-61-36-13-7-6-11-34(32)36)52(80)65-38(19-22-88-2)50(78)69-43(27-46(73)74)53(81)66-39(47(57)75)23-30-9-4-3-5-10-30/h3-7,9-11,13-17,28,35,37-43,61H,8,12,18-27,29,56H2,1-2H3,(H2,57,75)(H,62,77)(H,63,70)(H,64,79)(H,65,80)(H,66,81)(H,67,76)(H,68,82)(H,69,78)(H,71,72)(H,73,74)(H4,58,59,60)(H,83,84,85)/t35-,37-,38-,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
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
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 | |
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