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34 similar compounds to monomer 50411340

Compile data set for download or QSAR
Wt: 594.7
BDBM50002877
Wt: 532.6
BDBM50002879
Wt: 570.6
BDBM50002881
Wt: 544.6
BDBM50002898
Wt: 596.7
BDBM50002874
Wt: 544.6
BDBM50002902
Wt: 476.5
BDBM50002883
Wt: 490.5
BDBM50002884
Wt: 504.5
BDBM50002893
Wt: 584.1
BDBM50002885
Wt: 531.6
BDBM50002886
Wt: 556.6
BDBM50002887
Wt: 548.6
BDBM50002894
Wt: 561.6
BDBM50002895
Wt: 478.5
BDBM50002890
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50002877,50002879,50002881,50002898,50002874,50002902,50002883,50002884,50002893,50002885,50002886,50002887,50002894,50002895,50002890   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002902
PNG
(CHEMBL226622)
Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5/c36-27(21-10-3-1-4-11-21)19-34-26-17-8-7-16-25(26)29(22-12-5-2-6-13-22)33-35(31(34)40)20-28(37)32-24-15-9-14-23(18-24)30(38)39/h7-9,14-18,21-22H,1-6,10-13,19-20H2,(H,32,37)(H,38,39)
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0.790n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002895
PNG
(CHEMBL226726)
Show SMILES CN(CC(O)=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C31H39N5O5/c1-31(2,3)26(37)18-35-25-16-9-8-15-24(25)29(21-11-6-5-7-12-21)33-36(30(35)41)19-27(38)32-22-13-10-14-23(17-22)34(4)20-28(39)40/h8-10,13-17,21H,5-7,11-12,18-20H2,1-4H3,(H,32,38)(H,39,40)
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1.10n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002898
PNG
(CHEMBL388068)
Show SMILES CC1CCCC1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C31H36N4O5/c1-20-9-7-15-24(20)27(36)18-34-26-16-6-5-14-25(26)29(21-10-3-2-4-11-21)33-35(31(34)40)19-28(37)32-23-13-8-12-22(17-23)30(38)39/h5-6,8,12-14,16-17,20-21,24H,2-4,7,9-11,15,18-19H2,1H3,(H,32,37)(H,38,39)
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1.20n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002877
PNG
(CHEMBL388143)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C35H38N4O5/c1-35(2,3)30(40)21-38-29-18-8-7-17-28(29)32(23-11-5-4-6-12-23)37-39(34(38)44)22-31(41)36-27-16-10-14-25(20-27)24-13-9-15-26(19-24)33(42)43/h7-10,13-20,23H,4-6,11-12,21-22H2,1-3H3,(H,36,41)(H,42,43)
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1.60n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002887
PNG
(CHEMBL276645)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N8O3/c1-30(2,3)25(39)18-37-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)34-38(29(37)41)19-27(40)31-22-13-9-10-20(16-22)17-26-32-35-36-33-26/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,40)(H,32,33,35,36)
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4.70n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002879
PNG
(CHEMBL227147)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-16-9-8-15-23(24)27(20-11-6-4-5-7-12-20)32-34(29(33)39)19-26(36)31-22-14-10-13-21(17-22)28(37)38/h8-10,13-17,20H,4-7,11-12,18-19H2,1-3H3,(H,31,36)(H,37,38)
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4.80n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002894
PNG
(CHEMBL226729)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(OCC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N4O6/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)
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5.5n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002874
PNG
(CHEMBL374388)
Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1
Show InChI InChI=1S/C35H40N4O5/c40-30(35-17-22-13-23(18-35)15-24(14-22)19-35)20-38-29-12-5-4-11-28(29)32(25-7-2-1-3-8-25)37-39(34(38)44)21-31(41)36-27-10-6-9-26(16-27)33(42)43/h4-6,9-12,16,22-25H,1-3,7-8,13-15,17-21H2,(H,36,41)(H,42,43)
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5.60n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002885
PNG
(CHEMBL559157)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(NCC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H37N5O5.ClH/c1-30(2,3)25(36)18-34-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)33-35(29(34)40)19-26(37)32-22-13-9-12-21(16-22)31-17-27(38)39;/h7-9,12-16,20,31H,4-6,10-11,17-19H2,1-3H3,(H,32,37)(H,38,39);1H
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6.20n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002886
PNG
(CHEMBL390275)
Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H33N5O5/c35-25(30-22-12-8-11-21(17-22)28(37)38)18-34-29(39)33(19-26(36)32-15-6-7-16-32)24-14-5-4-13-23(24)27(31-34)20-9-2-1-3-10-20/h4-5,8,11-14,17,20H,1-3,6-7,9-10,15-16,18-19H2,(H,30,35)(H,37,38)
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16n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002884
PNG
(CHEMBL269790)
Show SMILES CC(C)CCN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C28H34N4O4/c1-19(2)15-16-31-24-14-7-6-13-23(24)26(20-9-4-3-5-10-20)30-32(28(31)36)18-25(33)29-22-12-8-11-21(17-22)27(34)35/h6-8,11-14,17,19-20H,3-5,9-10,15-16,18H2,1-2H3,(H,29,33)(H,34,35)
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20n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002881
PNG
(CHEMBL227369)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C33H38N4O5/c1-32(2,3)27(38)18-36-26-10-5-4-9-25(26)29(33-15-20-11-21(16-33)13-22(12-20)17-33)35-37(31(36)42)19-28(39)34-24-8-6-7-23(14-24)30(40)41/h4-10,14,20-22H,11-13,15-19H2,1-3H3,(H,34,39)(H,40,41)
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24n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002893
PNG
(CHEMBL227097)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCC1
Show InChI InChI=1S/C28H32N4O5/c1-28(2,3)23(33)16-31-22-14-7-6-13-21(22)25(18-9-4-5-10-18)30-32(27(31)37)17-24(34)29-20-12-8-11-19(15-20)26(35)36/h6-8,11-15,18H,4-5,9-10,16-17H2,1-3H3,(H,29,34)(H,35,36)
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24n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002890
PNG
(CHEMBL389019)
Show SMILES CC(C)C1=NN(CC(=O)Nc2cccc(c2)C(O)=O)C(=O)N(CC(=O)C(C)(C)C)c2ccccc12
Show InChI InChI=1S/C26H30N4O5/c1-16(2)23-19-11-6-7-12-20(19)29(14-21(31)26(3,4)5)25(35)30(28-23)15-22(32)27-18-10-8-9-17(13-18)24(33)34/h6-13,16H,14-15H2,1-5H3,(H,27,32)(H,33,34)
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89n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002883
PNG
(CHEMBL226571)
Show SMILES CC(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C26H28N4O5/c1-17(31)15-29-22-13-6-5-12-21(22)24(18-8-3-2-4-9-18)28-30(26(29)35)16-23(32)27-20-11-7-10-19(14-20)25(33)34/h5-7,10-14,18H,2-4,8-9,15-16H2,1H3,(H,27,32)(H,33,34)
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331n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002881
PNG
(CHEMBL227369)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C33H38N4O5/c1-32(2,3)27(38)18-36-26-10-5-4-9-25(26)29(33-15-20-11-21(16-33)13-22(12-20)17-33)35-37(31(36)42)19-28(39)34-24-8-6-7-23(14-24)30(40)41/h4-10,14,20-22H,11-13,15-19H2,1-3H3,(H,34,39)(H,40,41)
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372n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002877
PNG
(CHEMBL388143)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)-c2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C35H38N4O5/c1-35(2,3)30(40)21-38-29-18-8-7-17-28(29)32(23-11-5-4-6-12-23)37-39(34(38)44)22-31(41)36-27-16-10-14-25(20-27)24-13-9-15-26(19-24)33(42)43/h7-10,13-20,23H,4-6,11-12,21-22H2,1-3H3,(H,36,41)(H,42,43)
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550n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002874
PNG
(CHEMBL374388)
Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1
Show InChI InChI=1S/C35H40N4O5/c40-30(35-17-22-13-23(18-35)15-24(14-22)19-35)20-38-29-12-5-4-11-28(29)32(25-7-2-1-3-8-25)37-39(34(38)44)21-31(41)36-27-10-6-9-26(16-27)33(42)43/h4-6,9-12,16,22-25H,1-3,7-8,13-15,17-21H2,(H,36,41)(H,42,43)
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1.91E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002898
PNG
(CHEMBL388068)
Show SMILES CC1CCCC1C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C31H36N4O5/c1-20-9-7-15-24(20)27(36)18-34-26-16-6-5-14-25(26)29(21-10-3-2-4-11-21)33-35(31(34)40)19-28(37)32-23-13-8-12-22(17-23)30(38)39/h5-6,8,12-14,16-17,20-21,24H,2-4,7,9-11,15,18-19H2,1H3,(H,32,37)(H,38,39)
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3.98E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002894
PNG
(CHEMBL226729)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(OCC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N4O6/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)
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4.07E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002879
PNG
(CHEMBL227147)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-16-9-8-15-23(24)27(20-11-6-4-5-7-12-20)32-34(29(33)39)19-26(36)31-22-14-10-13-21(17-22)28(37)38/h8-10,13-17,20H,4-7,11-12,18-19H2,1-3H3,(H,31,36)(H,37,38)
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5.75E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002895
PNG
(CHEMBL226726)
Show SMILES CN(CC(O)=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C31H39N5O5/c1-31(2,3)26(37)18-35-25-16-9-8-15-24(25)29(21-11-6-5-7-12-21)33-36(30(35)41)19-27(38)32-22-13-10-14-23(17-22)34(4)20-28(39)40/h8-10,13-17,21H,5-7,11-12,18-20H2,1-4H3,(H,32,38)(H,39,40)
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6.46E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002890
PNG
(CHEMBL389019)
Show SMILES CC(C)C1=NN(CC(=O)Nc2cccc(c2)C(O)=O)C(=O)N(CC(=O)C(C)(C)C)c2ccccc12
Show InChI InChI=1S/C26H30N4O5/c1-16(2)23-19-11-6-7-12-20(19)29(14-21(31)26(3,4)5)25(35)30(28-23)15-22(32)27-18-10-8-9-17(13-18)24(33)34/h6-13,16H,14-15H2,1-5H3,(H,27,32)(H,33,34)
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7.08E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002902
PNG
(CHEMBL226622)
Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C31H36N4O5/c36-27(21-10-3-1-4-11-21)19-34-26-17-8-7-16-25(26)29(22-12-5-2-6-13-22)33-35(31(34)40)20-28(37)32-24-15-9-14-23(18-24)30(38)39/h7-9,14-18,21-22H,1-6,10-13,19-20H2,(H,32,37)(H,38,39)
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7.94E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002885
PNG
(CHEMBL559157)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(NCC(O)=O)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H37N5O5.ClH/c1-30(2,3)25(36)18-34-24-15-8-7-14-23(24)28(20-10-5-4-6-11-20)33-35(29(34)40)19-26(37)32-22-13-9-12-21(16-22)31-17-27(38)39;/h7-9,12-16,20,31H,4-6,10-11,17-19H2,1-3H3,(H,32,37)(H,38,39);1H
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8.51E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002886
PNG
(CHEMBL390275)
Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H33N5O5/c35-25(30-22-12-8-11-21(17-22)28(37)38)18-34-29(39)33(19-26(36)32-15-6-7-16-32)24-14-5-4-13-23(24)27(31-34)20-9-2-1-3-10-20/h4-5,8,11-14,17,20H,1-3,6-7,9-10,15-16,18-19H2,(H,30,35)(H,37,38)
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<1.00E+4n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002884
PNG
(CHEMBL269790)
Show SMILES CC(C)CCN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C28H34N4O4/c1-19(2)15-16-31-24-14-7-6-13-23(24)26(20-9-4-3-5-10-20)30-32(28(31)36)18-25(33)29-22-12-8-11-21(17-22)27(34)35/h6-8,11-14,17,19-20H,3-5,9-10,15-16,18H2,1-2H3,(H,29,33)(H,34,35)
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<1.00E+4n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002883
PNG
(CHEMBL226571)
Show SMILES CC(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show InChI InChI=1S/C26H28N4O5/c1-17(31)15-29-22-13-6-5-12-21(22)24(18-8-3-2-4-9-18)28-30(26(29)35)16-23(32)27-20-11-7-10-19(14-20)25(33)34/h5-7,10-14,18H,2-4,8-9,15-16H2,1H3,(H,27,32)(H,33,34)
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<1.00E+4n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002893
PNG
(CHEMBL227097)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCC1
Show InChI InChI=1S/C28H32N4O5/c1-28(2,3)23(33)16-31-22-14-7-6-13-21(22)25(18-9-4-5-10-18)30-32(27(31)37)17-24(34)29-20-12-8-11-19(15-20)26(35)36/h6-8,11-15,18H,4-5,9-10,16-17H2,1-3H3,(H,29,34)(H,35,36)
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<1.00E+4n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002887
PNG
(CHEMBL276645)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H36N8O3/c1-30(2,3)25(39)18-37-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)34-38(29(37)41)19-27(40)31-22-13-9-10-20(16-22)17-26-32-35-36-33-26/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,40)(H,32,33,35,36)
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<1.00E+4n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 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