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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50033350   
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 type A


(Homo sapiens (Human))		BDBM50343722
PNG
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)
Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43)
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n/an/a 0.0340n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343703
PNG
((5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-p-tolyl...)
Show SMILES Cc1ccc(cc1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H29N5O3/c1-22-6-8-23(9-7-22)31-27(24-10-11-29-30(19-24)41-17-16-40-29)21-35-32(36-31)33(39)38-14-12-37(13-15-38)26-18-25-4-2-3-5-28(25)34-20-26/h2-11,18-21H,12-17H2,1H3
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n/an/a 0.180n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343721
PNG
(3-(4-(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C34H29FN4O4/c1-21-7-12-27(30(35)17-21)31-29(22-8-10-25(43-2)11-9-22)20-36-32(37-31)33(40)39-15-13-38(14-16-39)24-18-23-5-3-4-6-26(23)28(19-24)34(41)42/h3-12,17-20H,13-16H2,1-2H3,(H,41,42)
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n/an/a 0.220n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343711
PNG
((4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphenyl)py...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H28FN5O2/c1-21-7-12-26(28(33)17-21)30-27(22-8-10-25(40-2)11-9-22)20-35-31(36-30)32(39)38-15-13-37(14-16-38)24-18-23-5-3-4-6-29(23)34-19-24/h3-12,17-20H,13-16H2,1-2H3
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n/an/a 0.260n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343710
PNG
((4-(2-fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H26FN5O2/c1-39-24-12-10-21(11-13-24)26-20-34-30(35-29(26)25-7-3-4-8-27(25)32)31(38)37-16-14-36(15-17-37)23-18-22-6-2-5-9-28(22)33-19-23/h2-13,18-20H,14-17H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343720
PNG
(3-(4-(5-(4-methoxyphenyl)-4-p-tolylpyrimidine-2-ca...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C34H30N4O4/c1-22-7-9-24(10-8-22)31-30(23-11-13-27(42-2)14-12-23)21-35-32(36-31)33(39)38-17-15-37(16-18-38)26-19-25-5-3-4-6-28(25)29(20-26)34(40)41/h3-14,19-21H,15-18H2,1-2H3,(H,40,41)
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n/an/a 2n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343699
PNG
((5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-7-9-24(10-8-22)30-28(23-11-13-27(39-2)14-12-23)21-34-31(35-30)32(38)37-17-15-36(16-18-37)26-19-25-5-3-4-6-29(25)33-20-26/h3-14,19-21H,15-18H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343700
PNG
((5-(4-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(qu...)
Show SMILES CCOc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O2/c1-3-40-28-14-12-24(13-15-28)29-22-35-32(36-31(29)25-10-8-23(2)9-11-25)33(39)38-18-16-37(17-19-38)27-20-26-6-4-5-7-30(26)34-21-27/h4-15,20-22H,3,16-19H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343719
PNG
(CHEMBL1774041 | methyl 3-(4-(5-(4-methoxyphenyl)-4...)
Show SMILES COC(=O)c1cc(cc2ccccc12)N1CCN(CC1)C(=O)c1ncc(-c2ccc(OC)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H32N4O4/c1-23-8-10-25(11-9-23)32-31(24-12-14-28(42-2)15-13-24)22-36-33(37-32)34(40)39-18-16-38(17-19-39)27-20-26-6-4-5-7-29(26)30(21-27)35(41)43-3/h4-15,20-22H,16-19H2,1-3H3
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n/an/a 4.70n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343709
PNG
((4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H26FN5O2/c1-39-26-12-8-21(9-13-26)27-20-34-30(35-29(27)22-6-10-24(32)11-7-22)31(38)37-16-14-36(15-17-37)25-18-23-4-2-3-5-28(23)33-19-25/h2-13,18-20H,14-17H2,1H3
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n/an/a 6.70n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343715
PNG
((4-(benzofuran-6-yl)piperazin-1-yl)(5-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccoc2c1
Show InChI InChI=1S/C31H28N4O3/c1-21-3-5-24(6-4-21)29-27(22-8-11-26(37-2)12-9-22)20-32-30(33-29)31(36)35-16-14-34(15-17-35)25-10-7-23-13-18-38-28(23)19-25/h3-13,18-20H,14-17H2,1-2H3
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n/an/a 9.90n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343713
PNG
((4-(isoquinolin-3-yl)piperazin-1-yl)(5-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cn1
Show InChI InChI=1S/C32H29N5O2/c1-22-7-9-24(10-8-22)30-28(23-11-13-27(39-2)14-12-23)21-34-31(35-30)32(38)37-17-15-36(16-18-37)29-19-25-5-3-4-6-26(25)20-33-29/h3-14,19-21H,15-18H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343712
PNG
((5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(n...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H30N4O2/c1-23-7-9-26(10-8-23)31-30(25-12-15-29(39-2)16-13-25)22-34-32(35-31)33(38)37-19-17-36(18-20-37)28-14-11-24-5-3-4-6-27(24)21-28/h3-16,21-22H,17-20H2,1-2H3
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n/an/a 16.9n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343704
PNG
((5-(4-methoxyphenyl)-4-phenylpyrimidin-2-yl)(4-(qu...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccccc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H27N5O2/c1-38-26-13-11-22(12-14-26)27-21-33-30(34-29(27)23-7-3-2-4-8-23)31(37)36-17-15-35(16-18-36)25-19-24-9-5-6-10-28(24)32-20-25/h2-14,19-21H,15-18H2,1H3
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n/an/a 17.9n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343714
PNG
((5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ncccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-5-7-24(8-6-22)30-28(23-9-12-27(39-2)13-10-23)21-34-31(35-30)32(38)37-18-16-36(17-19-37)26-11-14-29-25(20-26)4-3-15-33-29/h3-15,20-21H,16-19H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343698
PNG
((5-(3-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(qu...)
Show SMILES CCOc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O2/c1-3-40-28-9-6-8-25(20-28)29-22-35-32(36-31(29)24-13-11-23(2)12-14-24)33(39)38-17-15-37(16-18-38)27-19-26-7-4-5-10-30(26)34-21-27/h4-14,19-22H,3,15-18H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343695
PNG
((5-(3-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(n...)
Show SMILES COc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H30N4O2/c1-23-10-12-25(13-11-23)31-30(27-8-5-9-29(21-27)39-2)22-34-32(35-31)33(38)37-18-16-36(17-19-37)28-15-14-24-6-3-4-7-26(24)20-28/h3-15,20-22H,16-19H2,1-2H3
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n/an/a 33n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343707
PNG
((4-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrimidin-2...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccccc1Cl)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H26ClN5O2/c1-39-24-12-10-21(11-13-24)26-20-34-30(35-29(26)25-7-3-4-8-27(25)32)31(38)37-16-14-36(15-17-37)23-18-22-6-2-5-9-28(22)33-19-23/h2-13,18-20H,14-17H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343697
PNG
((5-(3-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-10-12-23(13-11-22)30-28(24-7-5-8-27(19-24)39-2)21-34-31(35-30)32(38)37-16-14-36(15-17-37)26-18-25-6-3-4-9-29(25)33-20-26/h3-13,18-21H,14-17H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343694
PNG
((5-(3-methoxyphenyl)-6-p-tolylpyridin-2-yl)(4-(nap...)
Show SMILES COc1cccc(c1)-c1ccc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C34H31N3O2/c1-24-10-12-26(13-11-24)33-31(28-8-5-9-30(23-28)39-2)16-17-32(35-33)34(38)37-20-18-36(19-21-37)29-15-14-25-6-3-4-7-27(25)22-29/h3-17,22-23H,18-21H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343708
PNG
((4-(3-fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1cccc(F)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H26FN5O2/c1-39-26-11-9-21(10-12-26)27-20-34-30(35-29(27)23-6-4-7-24(32)17-23)31(38)37-15-13-36(14-16-37)25-18-22-5-2-3-8-28(22)33-19-25/h2-12,17-20H,13-16H2,1H3
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n/an/a 51n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343705
PNG
((5-(4-methoxyphenyl)-4-o-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccccc1C)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-7-3-5-9-27(22)30-28(23-11-13-26(39-2)14-12-23)21-34-31(35-30)32(38)37-17-15-36(16-18-37)25-19-24-8-4-6-10-29(24)33-20-25/h3-14,19-21H,15-18H2,1-2H3
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n/an/a 55n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343716
PNG
((4-(1H-indol-6-yl)piperazin-1-yl)(5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C31H29N5O2/c1-21-3-5-24(6-4-21)29-27(22-8-11-26(38-2)12-9-22)20-33-30(34-29)31(37)36-17-15-35(16-18-36)25-10-7-23-13-14-32-28(23)19-25/h3-14,19-20,32H,15-18H2,1-2H3
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n/an/a 66n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343718
PNG
(3-(4-(5-(4-methoxyphenyl)-4-p-tolylpyrimidine-2-ca...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C34H30N4O4/c1-22-7-9-24(10-8-22)31-29(23-11-13-27(42-2)14-12-23)21-35-32(36-31)33(39)38-17-15-37(16-18-38)30-20-26-6-4-3-5-25(26)19-28(30)34(40)41/h3-14,19-21H,15-18H2,1-2H3,(H,40,41)
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n/an/a 95n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 1


(Homo sapiens (Human))		BDBM50343721
PNG
(3-(4-(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C34H29FN4O4/c1-21-7-12-27(30(35)17-21)31-29(22-8-10-25(43-2)11-9-22)20-36-32(37-31)33(40)39-15-13-38(14-16-39)24-18-23-5-3-4-6-26(23)28(19-24)34(41)42/h3-12,17-20H,13-16H2,1-2H3,(H,41,42)
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n/an/a 130n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343696
PNG
((5-(2-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccccc1-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-11-13-23(14-12-22)30-27(26-8-4-6-10-29(26)39-2)21-34-31(35-30)32(38)37-17-15-36(16-18-37)25-19-24-7-3-5-9-28(24)33-20-25/h3-14,19-21H,15-18H2,1-2H3
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n/an/a 165n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343706
PNG
((5-(4-methoxyphenyl)-4-m-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1cccc(C)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-6-5-8-25(18-22)30-28(23-10-12-27(39-2)13-11-23)21-34-31(35-30)32(38)37-16-14-36(15-17-37)26-19-24-7-3-4-9-29(24)33-20-26/h3-13,18-21H,14-17H2,1-2H3
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n/an/a 174n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 1


(Homo sapiens (Human))		BDBM50343722
PNG
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)
Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43)
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n/an/a 240n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343717
PNG
(CHEMBL1774039 | methyl 3-(4-(5-(4-methoxyphenyl)-4...)
Show SMILES COC(=O)c1cc2ccccc2cc1N1CCN(CC1)C(=O)c1ncc(-c2ccc(OC)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H32N4O4/c1-23-8-10-25(11-9-23)32-30(24-12-14-28(42-2)15-13-24)22-36-33(37-32)34(40)39-18-16-38(17-19-39)31-21-27-7-5-4-6-26(27)20-29(31)35(41)43-3/h4-15,20-22H,16-19H2,1-3H3
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n/an/a 587n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343701
PNG
((5-(3,4-dimethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(...)
Show SMILES COc1ccc(cc1OC)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O3/c1-22-8-10-23(11-9-22)31-27(24-12-13-29(40-2)30(19-24)41-3)21-35-32(36-31)33(39)38-16-14-37(15-17-38)26-18-25-6-4-5-7-28(25)34-20-26/h4-13,18-21H,14-17H2,1-3H3
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n/an/a 857n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343702
PNG
((5-(3,4-dihydroxyphenyl)-4-p-tolylpyrimidin-2-yl)(...)
Show SMILES Cc1ccc(cc1)-c1nc(ncc1-c1ccc(O)c(O)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H27N5O3/c1-20-6-8-21(9-7-20)29-25(22-10-11-27(37)28(38)17-22)19-33-30(34-29)31(39)36-14-12-35(13-15-36)24-16-23-4-2-3-5-26(23)32-18-24/h2-11,16-19,37-38H,12-15H2,1H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343692
PNG
((5-(3-methoxyphenyl)-6-p-tolylpyrazin-2-yl)(4-(nap...)
Show SMILES COc1cccc(c1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H30N4O2/c1-23-10-12-25(13-11-23)32-31(27-8-5-9-29(21-27)39-2)34-22-30(35-32)33(38)37-18-16-36(17-19-37)28-15-14-24-6-3-4-7-26(24)20-28/h3-15,20-22H,16-19H2,1-2H3
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n/an/a 2.93E+3n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50343721
PNG
(3-(4-(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C34H29FN4O4/c1-21-7-12-27(30(35)17-21)31-29(22-8-10-25(43-2)11-9-22)20-36-32(37-31)33(40)39-15-13-38(14-16-39)24-18-23-5-3-4-6-26(23)28(19-24)34(41)42/h3-12,17-20H,13-16H2,1-2H3,(H,41,42)
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n/an/a>9.00E+3n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of IKr

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343691
PNG
((6-(3-methoxyphenyl)-5-p-tolylpyrazin-2-yl)(4-(nap...)
Show SMILES COc1cccc(c1)-c1nc(cnc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H30N4O2/c1-23-10-12-25(13-11-23)31-32(27-8-5-9-29(21-27)39-2)35-30(22-34-31)33(38)37-18-16-36(17-19-37)28-15-14-24-6-3-4-7-26(24)20-28/h3-15,20-22H,16-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343693
PNG
((5-(3-methoxyphenyl)-6-p-tolylpyridin-3-yl)(4-(nap...)
Show SMILES COc1cccc(c1)-c1cc(cnc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C34H31N3O2/c1-24-10-12-26(13-11-24)33-32(28-8-5-9-31(21-28)39-2)22-29(23-35-33)34(38)37-18-16-36(17-19-37)30-15-14-25-6-3-4-7-27(25)20-30/h3-15,20-23H,16-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50343721
PNG
(3-(4-(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C34H29FN4O4/c1-21-7-12-27(30(35)17-21)31-29(22-8-10-25(43-2)11-9-22)20-36-32(37-31)33(40)39-15-13-38(14-16-39)24-18-23-5-3-4-6-26(23)28(19-24)34(41)42/h3-12,17-20H,13-16H2,1-2H3,(H,41,42)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of CCK2 receptor

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50343722
PNG
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)
Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of CCK2 receptor

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1


(Homo sapiens (Human))		BDBM50343722
PNG
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)
Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of IKr

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343696
PNG
((5-(2-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccccc1-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-11-13-23(14-12-22)30-27(26-8-4-6-10-29(26)39-2)21-34-31(35-30)32(38)37-17-15-36(16-18-37)25-19-24-7-3-5-9-28(24)33-20-25/h3-14,19-21H,15-18H2,1-2H3
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n/an/an/an/a 286n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50343722
PNG
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)
Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43)
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n/an/an/an/a 61n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at CB2 receptor

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343698
PNG
((5-(3-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(qu...)
Show SMILES CCOc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O2/c1-3-40-28-9-6-8-25(20-28)29-22-35-32(36-31(29)24-13-11-23(2)12-14-24)33(39)38-17-15-37(16-18-38)27-19-26-7-4-5-10-30(26)34-21-27/h4-14,19-22H,3,15-18H2,1-2H3
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n/an/an/an/a 34n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343699
PNG
((5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-7-9-24(10-8-22)30-28(23-11-13-27(39-2)14-12-23)21-34-31(35-30)32(38)37-17-15-36(16-18-37)26-19-25-5-3-4-6-29(25)33-20-26/h3-14,19-21H,15-18H2,1-2H3
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n/an/an/an/a 1.30n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343700
PNG
((5-(4-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(qu...)
Show SMILES CCOc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O2/c1-3-40-28-14-12-24(13-15-28)29-22-35-32(36-31(29)25-10-8-23(2)9-11-25)33(39)38-18-16-37(17-19-38)27-20-26-6-4-5-7-30(26)34-21-27/h4-15,20-22H,3,16-19H2,1-2H3
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n/an/an/an/a 21n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343701
PNG
((5-(3,4-dimethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(...)
Show SMILES COc1ccc(cc1OC)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O3/c1-22-8-10-23(11-9-22)31-27(24-12-13-29(40-2)30(19-24)41-3)21-35-32(36-31)33(39)38-16-14-37(15-17-38)26-18-25-6-4-5-7-28(25)34-20-26/h4-13,18-21H,14-17H2,1-3H3
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n/an/an/an/a 256n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343702
PNG
((5-(3,4-dihydroxyphenyl)-4-p-tolylpyrimidin-2-yl)(...)
Show SMILES Cc1ccc(cc1)-c1nc(ncc1-c1ccc(O)c(O)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H27N5O3/c1-20-6-8-21(9-7-20)29-25(22-10-11-27(37)28(38)17-22)19-33-30(34-29)31(39)36-14-12-35(13-15-36)24-16-23-4-2-3-5-26(23)32-18-24/h2-11,16-19,37-38H,12-15H2,1H3
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n/an/an/an/a 88n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343703
PNG
((5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-p-tolyl...)
Show SMILES Cc1ccc(cc1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H29N5O3/c1-22-6-8-23(9-7-22)31-27(24-10-11-29-30(19-24)41-17-16-40-29)21-35-32(36-31)33(39)38-14-12-37(13-15-38)26-18-25-4-2-3-5-28(25)34-20-26/h2-11,18-21H,12-17H2,1H3
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n/an/an/an/a 0.730n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343704
PNG
((5-(4-methoxyphenyl)-4-phenylpyrimidin-2-yl)(4-(qu...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccccc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H27N5O2/c1-38-26-13-11-22(12-14-26)27-21-33-30(34-29(27)23-7-3-2-4-8-23)31(37)36-17-15-35(16-18-36)25-19-24-9-5-6-10-28(24)32-20-25/h2-14,19-21H,15-18H2,1H3
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n/an/an/an/a 6.10n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343705
PNG
((5-(4-methoxyphenyl)-4-o-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccccc1C)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-7-3-5-9-27(22)30-28(23-11-13-26(39-2)14-12-23)21-34-31(35-30)32(38)37-17-15-36(16-18-37)25-19-24-8-4-6-10-29(24)33-20-25/h3-14,19-21H,15-18H2,1-2H3
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n/an/an/an/a 37n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343706
PNG
((5-(4-methoxyphenyl)-4-m-tolylpyrimidin-2-yl)(4-(q...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1cccc(C)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H29N5O2/c1-22-6-5-8-25(18-22)30-28(23-10-12-27(39-2)13-11-23)21-34-31(35-30)32(38)37-16-14-36(15-17-37)26-19-24-7-3-4-9-29(24)33-20-26/h3-13,18-21H,14-17H2,1-2H3
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n/an/an/an/a 196n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50343707
PNG
((4-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrimidin-2...)
Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccccc1Cl)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H26ClN5O2/c1-39-24-12-10-21(11-13-24)26-20-34-30(35-29(26)25-7-3-4-8-27(25)32)31(38)37-16-14-36(15-17-37)23-18-22-6-2-5-9-28(22)33-19-23/h2-13,18-20H,14-17H2,1H3
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n/an/an/an/a 61n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...

Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
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