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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P30552   
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


(Dog)
BDBM50410564
PNG
(CHEMBL425574)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2(C)CCCCC2)cc1C(O)=O |TLB:22:17:24:21.23.20,22:21:24:17.16.18,18:19:23:17.16.22,THB:18:17:23:19.24.20,20:19:16:21.23.22,20:21:16:19.24.18|
Show InChI InChI=1S/C31H41N3O3/c1-19-6-7-23(15-24(19)28(36)37)32-27(35)26-25(33-29(34-26)30(2)9-4-3-5-10-30)8-11-31-16-20-12-21(17-31)14-22(13-20)18-31/h6-7,15,20-22H,3-5,8-14,16-18H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)
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n/an/a 11n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Dog)
BDBM50410544
PNG
(CHEMBL390519)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C28H35N3O4/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31-24)20-5-2-1-3-6-20)16-35-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 19n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Dog)
BDBM50410557
PNG
(CHEMBL196133)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CCCCC2)c1 |TLB:21:22:26:20.19.25,25:24:27:20.19.21,25:20:27:24.26.23,THB:21:20:26:22.27.23,23:22:19:24.26.25,23:24:19:22.27.21|
Show InChI InChI=1S/C29H37N3O3/c33-27(30-23-8-4-7-22(14-23)28(34)35)25-24(31-26(32-25)21-5-2-1-3-6-21)9-10-29-15-18-11-19(16-29)13-20(12-18)17-29/h4,7-8,14,18-21H,1-3,5-6,9-13,15-17H2,(H,30,33)(H,31,32)(H,34,35)
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n/an/a 30n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Dog)
BDBM50410551
PNG
(CHEMBL195007)
Show SMILES Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2ccc(C)c(c2)C(O)=O)c(C)c1 |TLB:14:15:19:13.12.18,18:17:20:13.12.14,18:13:20:17.19.16,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C33H39N3O3/c1-18-9-20(3)28(21(4)10-18)30-35-27(7-8-33-15-22-11-23(16-33)13-24(12-22)17-33)29(36-30)31(37)34-25-6-5-19(2)26(14-25)32(38)39/h5-6,9-10,14,22-24H,7-8,11-13,15-17H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)
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PubMed
n/an/a 40n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Dog)
BDBM50410556
PNG
(CHEMBL197780)
Show SMILES Cc1cc(C)c(-c2nc(COC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1 |TLB:18:17:20:13.12.14,18:13:20:17.19.16,14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C31H35N3O4/c1-17-7-18(2)26(19(3)8-17)28-33-25(16-38-31-13-20-9-21(14-31)11-22(10-20)15-31)27(34-28)29(35)32-24-6-4-5-23(12-24)30(36)37/h4-8,12,20-22H,9-11,13-16H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor


J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair