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Compile Data Set for Download or QSAR

Found 502 hits with Last Name = 'wolkenberg' and Initial = 'se'   
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
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341578
PNG
(3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(O)c1
Show InChI InChI=1S/C26H25ClN2O2/c1-16-9-17(2)11-19(10-16)23-15-29-25-14-24(27)21(18-5-3-6-20(30)12-18)13-22(25)26(23)31-8-4-7-28/h3,5-6,9-15,30H,4,7-8,28H2,1-2H3
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0.0250n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341575
PNG
(7-Chloro-3-(3,5-dimethylphenyl)-6-(1-methyl-1H-pyr...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cnn(C)c1
Show InChI InChI=1S/C28H31ClN4O/c1-18-10-19(2)12-20(11-18)25-16-31-27-14-26(29)23(21-15-32-33(3)17-21)13-24(27)28(25)34-9-7-22-6-4-5-8-30-22/h10-17,22,30H,4-9H2,1-3H3/t22-/m1/s1
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0.0250n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341572
PNG
(3-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cccc(O)c1
Show InChI InChI=1S/C30H31ClN2O2/c1-19-12-20(2)14-22(13-19)27-18-33-29-17-28(31)25(21-6-5-8-24(34)15-21)16-26(29)30(27)35-11-9-23-7-3-4-10-32-23/h5-6,8,12-18,23,32,34H,3-4,7,9-11H2,1-2H3/t23-/m1/s1
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0.0370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341574
PNG
(3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C31H32ClN3O2/c1-19-13-20(2)15-23(14-19)27-18-35-29-17-28(32)25(21-6-8-22(9-7-21)31(33)36)16-26(29)30(27)37-12-10-24-5-3-4-11-34-24/h6-9,13-18,24,34H,3-5,10-12H2,1-2H3,(H2,33,36)/t24-/m1/s1
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0.0380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341562
PNG
(7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)...)
Show SMILES Cc1cc(C)cc(c1)C1=C(OCCC2CCCCN2)c2cc(c(Cl)cc2NC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H32Cl2N2O/c1-19-13-20(2)15-22(14-19)27-18-34-29-17-28(32)25(21-6-8-23(31)9-7-21)16-26(29)30(27)35-12-10-24-5-3-4-11-33-24/h6-9,13-17,24,33-34H,3-5,10-12,18H2,1-2H3
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0.0620n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341577
PNG
(3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H26ClN3O2/c1-16-9-17(2)11-20(10-16)23-15-31-25-14-24(28)21(13-22(25)26(23)33-8-4-7-29)18-5-3-6-19(12-18)27(30)32/h3,5-6,9-15H,4,7-8,29H2,1-2H3,(H2,30,32)
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0.0800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341571
PNG
(4-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(O)cc1
Show InChI InChI=1S/C30H31ClN2O2/c1-19-13-20(2)15-22(14-19)27-18-33-29-17-28(31)25(21-6-8-24(34)9-7-21)16-26(29)30(27)35-12-10-23-5-3-4-11-32-23/h6-9,13-18,23,32,34H,3-5,10-12H2,1-2H3/t23-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341573
PNG
(CHEMBL1766098 | {4-[7-Chloro-3-(3,5-dimethylphenyl...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(CO)cc1
Show InChI InChI=1S/C31H33ClN2O2/c1-20-13-21(2)15-24(14-20)28-18-34-30-17-29(32)26(23-8-6-22(19-35)7-9-23)16-27(30)31(28)36-12-10-25-5-3-4-11-33-25/h6-9,13-18,25,33,35H,3-5,10-12,19H2,1-2H3/t25-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341570
PNG
(7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperid...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccncc1
Show InChI InChI=1S/C29H30ClN3O/c1-19-13-20(2)15-22(14-19)26-18-33-28-17-27(30)24(21-6-10-31-11-7-21)16-25(28)29(26)34-12-8-23-5-3-4-9-32-23/h6-7,10-11,13-18,23,32H,3-5,8-9,12H2,1-2H3/t23-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341569
PNG
(7-Chloro-3-(3,5-dimethylphenyl)-6-(6-fluoropyridin...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(F)nc1
Show InChI InChI=1S/C29H29ClFN3O/c1-18-11-19(2)13-21(12-18)25-17-33-27-15-26(30)23(20-6-7-28(31)34-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-32-22/h6-7,11-17,22,32H,3-5,8-10H2,1-2H3/t22-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341568
PNG
(7-Chloro-6-(6-chloropyridin-3-yl)-3-(3,5-dimethylp...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C29H29Cl2N3O/c1-18-11-19(2)13-21(12-18)25-17-33-27-15-26(30)23(20-6-7-28(31)34-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-32-22/h6-7,11-17,22,32H,3-5,8-10H2,1-2H3/t22-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341564
PNG
(7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperid...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cccnc1
Show InChI InChI=1S/C29H30ClN3O/c1-19-12-20(2)14-22(13-19)26-18-33-28-16-27(30)24(21-6-5-9-31-17-21)15-25(28)29(26)34-11-8-23-7-3-4-10-32-23/h5-6,9,12-18,23,32H,3-4,7-8,10-11H2,1-2H3/t23-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341579
PNG
(CHEMBL1766104 | {3-[7-Chloro-6-(1-methyl-1H-pyrazo...)
Show SMILES Cn1cc(cn1)-c1cc2c(OCC[C@H]3CCCCN3)c(cnc2cc1Cl)-c1cccc(CO)c1
Show InChI InChI=1S/C27H29ClN4O2/c1-32-16-20(14-31-32)22-12-23-26(13-25(22)28)30-15-24(19-6-4-5-18(11-19)17-33)27(23)34-10-8-21-7-2-3-9-29-21/h4-6,11-16,21,29,33H,2-3,7-10,17H2,1H3/t21-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341580
PNG
(CHEMBL1766105 | [(4-{2-[(2R)-Piperidin-2-yl]ethoxy...)
Show SMILES OCc1cccc(c1)-c1ccc2ncc(-c3cccc(CO)c3)c(OCC[C@H]3CCCCN3)c2c1
Show InChI InChI=1S/C30H32N2O3/c33-19-21-5-3-7-23(15-21)24-10-11-29-27(17-24)30(35-14-12-26-9-1-2-13-31-26)28(18-32-29)25-8-4-6-22(16-25)20-34/h3-8,10-11,15-18,26,31,33-34H,1-2,9,12-14,19-20H2/t26-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341563
PNG
(7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-(pip...)
Show SMILES Cc1cc(C)cc(c1)C1=C(OCCC2CCCCN2)c2cc(c(Cl)cc2NC1)-c1ccccc1
Show InChI InChI=1S/C30H33ClN2O/c1-20-14-21(2)16-23(15-20)27-19-33-29-18-28(31)25(22-8-4-3-5-9-22)17-26(29)30(27)34-13-11-24-10-6-7-12-32-24/h3-5,8-9,14-18,24,32-33H,6-7,10-13,19H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341565
PNG
(5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C29H30ClN3O2/c1-18-11-19(2)13-21(12-18)25-17-32-27-15-26(30)23(20-6-7-28(34)33-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-31-22/h6-7,11-17,22,31H,3-5,8-10H2,1-2H3,(H,33,34)/t22-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341566
PNG
(5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(N)nc1
Show InChI InChI=1S/C29H31ClN4O/c1-18-11-19(2)13-21(12-18)25-17-33-27-15-26(30)23(20-6-7-28(31)34-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-32-22/h6-7,11-17,22,32H,3-5,8-10H2,1-2H3,(H2,31,34)/t22-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341567
PNG
(7-Chloro-3-(3,5-dimethylphenyl)-6-(6-methoxypyridi...)
Show SMILES COc1ccc(cn1)-c1cc2c(OCC[C@H]3CCCCN3)c(cnc2cc1Cl)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H32ClN3O2/c1-19-12-20(2)14-22(13-19)26-18-33-28-16-27(31)24(21-7-8-29(35-3)34-17-21)15-25(28)30(26)36-11-9-23-6-4-5-10-32-23/h7-8,12-18,23,32H,4-6,9-11H2,1-3H3/t23-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341576
PNG
((S)-7-chloro-3-(3,5-dimethylphenyl)-6-(1-methyl-1H...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@@H]1CCCCN1)-c1cnn(C)c1
Show InChI InChI=1S/C28H31ClN4O/c1-18-10-19(2)12-20(11-18)25-16-31-27-14-26(29)23(21-15-32-33(3)17-21)13-24(27)28(25)34-9-7-22-6-4-5-8-30-22/h10-17,22,30H,4-9H2,1-3H3/t22-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341560
PNG
((R)-7-chloro-3-(3,5-dimethylphenyl)-6-(4-fluorophe...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCC[C@H]2CCCCN2)c2cc(c(Cl)cc2[nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30ClFN2O2/c1-18-13-19(2)15-21(14-18)28-29(36-12-10-23-5-3-4-11-33-23)25-16-24(20-6-8-22(32)9-7-20)26(31)17-27(25)34-30(28)35/h6-9,13-17,23,33H,3-5,10-12H2,1-2H3,(H,34,35)/t23-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341561
PNG
((R)-7-chloro-3-(3,5-dimethylphenyl)-4-(2-(piperidi...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)C(=O)Nc1ccncn1
Show InChI InChI=1S/C29H30ClN5O2/c1-18-11-19(2)13-20(12-18)24-16-33-26-15-25(30)22(29(36)35-27-6-9-31-17-34-27)14-23(26)28(24)37-10-7-21-5-3-4-8-32-21/h6,9,11-17,21,32H,3-5,7-8,10H2,1-2H3,(H,31,34,35,36)/t21-/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50342649
PNG
(6-methyl-N-(4-(6-(piperazin-1-yl)pyridin-3-yl)phen...)
Show SMILES Cc1cccc(Nc2ccc(cc2)-c2ccc(nc2)N2CCNCC2)n1
Show InChI InChI=1S/C21H23N5/c1-16-3-2-4-20(24-16)25-19-8-5-17(6-9-19)18-7-10-21(23-15-18)26-13-11-22-12-14-26/h2-10,15,22H,11-14H2,1H3,(H,24,25)
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700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 2646-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.115
BindingDB Entry DOI: 10.7270/Q2QV3MVJ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341559
PNG
(7-chloro-3-(3,5-dimethylphenyl)-4-(2-(piperidin-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[nH]c1=O)-c1ccncn1
Show InChI InChI=1S/C28H29ClN4O2/c1-17-11-18(2)13-19(12-17)26-27(35-10-7-20-5-3-4-8-31-20)22-14-21(24-6-9-30-16-32-24)23(29)15-25(22)33-28(26)34/h6,9,11-16,20,31H,3-5,7-8,10H2,1-2H3,(H,33,34)
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1.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341565
PNG
(5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C29H30ClN3O2/c1-18-11-19(2)13-21(12-18)25-17-32-27-15-26(30)23(20-6-7-28(34)33-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-31-22/h6-7,11-17,22,31H,3-5,8-10H2,1-2H3,(H,33,34)/t22-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341571
PNG
(4-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(O)cc1
Show InChI InChI=1S/C30H31ClN2O2/c1-19-13-20(2)15-22(14-19)27-18-33-29-17-28(31)25(21-6-8-24(34)9-7-21)16-26(29)30(27)35-12-10-23-5-3-4-11-32-23/h6-9,13-18,23,32,34H,3-5,10-12H2,1-2H3/t23-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341577
PNG
(3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H26ClN3O2/c1-16-9-17(2)11-20(10-16)23-15-31-25-14-24(28)21(13-22(25)26(23)33-8-4-7-29)18-5-3-6-19(12-18)27(30)32/h3,5-6,9-15H,4,7-8,29H2,1-2H3,(H2,30,32)
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n/an/a 0.380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341574
PNG
(3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C31H32ClN3O2/c1-19-13-20(2)15-23(14-19)27-18-35-29-17-28(32)25(21-6-8-22(9-7-21)31(33)36)16-26(29)30(27)37-12-10-24-5-3-4-11-34-24/h6-9,13-18,24,34H,3-5,10-12H2,1-2H3,(H2,33,36)/t24-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341572
PNG
(3-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cccc(O)c1
Show InChI InChI=1S/C30H31ClN2O2/c1-19-12-20(2)14-22(13-19)27-18-33-29-17-28(31)25(21-6-5-8-24(34)15-21)16-26(29)30(27)35-11-9-23-7-3-4-10-32-23/h5-6,8,12-18,23,32,34H,3-4,7,9-11H2,1-2H3/t23-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195169
PNG
(2,4-dichloro-N-((4-(morpholine-4-carbonyl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 2.40n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248651
PNG
(2,4-dichloro-N-((4-(6-methylpyridin-2-yl)-1-(propy...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccc(C)n1
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-13-31(29,30)27-11-9-22(10-12-27,20-6-4-5-16(2)26-20)15-25-21(28)18-8-7-17(23)14-19(18)24/h4-8,14H,3,9-13,15H2,1-2H3,(H,25,28)
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n/an/a 2.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248641
PNG
(2-amino-6-chloro-N-((4-phenyl-1-(propylsulfonyl)pi...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1c(N)cccc1Cl)c1ccccc1
Show InChI InChI=1S/C23H30ClN3O3S/c1-3-16-31(29,30)27-14-12-23(13-15-27,18-8-5-4-6-9-18)17(2)26-22(28)21-19(24)10-7-11-20(21)25/h4-11,17H,3,12-16,25H2,1-2H3,(H,26,28)/t17-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter 1 (unknown origin) by HTS assay


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248064
PNG
(2,4-dichloro-N-((4-(2-hydroxycyclohexyl)-1-(propyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C1CCCCC1O
Show InChI InChI=1S/C22H32Cl2N2O4S/c1-2-13-31(29,30)26-11-9-22(10-12-26,18-5-3-4-6-20(18)27)15-25-21(28)17-8-7-16(23)14-19(17)24/h7-8,14,18,20,27H,2-6,9-13,15H2,1H3,(H,25,28)
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n/an/a 2.80n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248062
PNG
(2,4-dichloro-N-((1-(propylsulfonyl)-4-((tetrahydro...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CCCCO2)CC1
Show InChI InChI=1S/C22H32Cl2N2O4S/c1-2-13-31(28,29)26-10-8-22(9-11-26,15-18-5-3-4-12-30-18)16-25-21(27)19-7-6-17(23)14-20(19)24/h6-7,14,18H,2-5,8-13,15-16H2,1H3,(H,25,27)
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n/an/a 2.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248669
PNG
(2-chloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsul...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cccc(C)n1
Show InChI InChI=1S/C22H28ClN3O3S/c1-3-15-30(28,29)26-13-11-22(12-14-26,20-10-6-7-17(2)25-20)16-24-21(27)18-8-4-5-9-19(18)23/h4-10H,3,11-16H2,1-2H3,(H,24,27)
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n/an/a 3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248058
PNG
((S)-2,4-dichloro-N-(1-(1-(propylsulfonyl)-4-(pyrid...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-14-31(29,30)27-12-9-22(10-13-27,20-6-4-5-11-25-20)16(2)26-21(28)18-8-7-17(23)15-19(18)24/h4-8,11,15-16H,3,9-10,12-14H2,1-2H3,(H,26,28)/t16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50341559
PNG
(7-chloro-3-(3,5-dimethylphenyl)-4-(2-(piperidin-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(c(Cl)cc2[nH]c1=O)-c1ccncn1
Show InChI InChI=1S/C28H29ClN4O2/c1-17-11-18(2)13-19(12-17)26-27(35-10-7-20-5-3-4-8-31-20)22-14-21(24-6-9-30-16-32-24)23(29)15-25(22)33-28(26)34/h6,9,11-16,20,31H,3-5,7-8,10H2,1-2H3,(H,33,34)
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at GnRH receptor by GnRH


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50195169
PNG
(2,4-dichloro-N-((4-(morpholine-4-carbonyl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 3.20n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248667
PNG
(2,4-dichloro-N-((4-(4-methylpyridin-2-yl)-1-(propy...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cc(C)ccn1
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-12-31(29,30)27-10-7-22(8-11-27,20-13-16(2)6-9-25-20)15-26-21(28)18-5-4-17(23)14-19(18)24/h4-6,9,13-14H,3,7-8,10-12,15H2,1-2H3,(H,26,28)
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n/an/a 3.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248059
PNG
((S)-2-chloro-3,5-difluoro-N-(1-(1-(propylsulfonyl)...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1cc(F)cc(F)c1Cl)c1ccccn1
Show InChI InChI=1S/C22H26ClF2N3O3S/c1-3-12-32(30,31)28-10-7-22(8-11-28,19-6-4-5-9-26-19)15(2)27-21(29)17-13-16(24)14-18(25)20(17)23/h4-6,9,13-15H,3,7-8,10-12H2,1-2H3,(H,27,29)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248100
PNG
((2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)17-7-6-16(22)14-18(17)23/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27)
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n/an/a 4.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248100
PNG
((2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)17-7-6-16(22)14-18(17)23/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27)
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n/an/a 4.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341569
PNG
(7-Chloro-3-(3,5-dimethylphenyl)-6-(6-fluoropyridin...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(F)nc1
Show InChI InChI=1S/C29H29ClFN3O/c1-18-11-19(2)13-21(12-18)25-17-33-27-15-26(30)23(20-6-7-28(31)34-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-32-22/h6-7,11-17,22,32H,3-5,8-10H2,1-2H3/t22-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341575
PNG
(7-Chloro-3-(3,5-dimethylphenyl)-6-(1-methyl-1H-pyr...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cnn(C)c1
Show InChI InChI=1S/C28H31ClN4O/c1-18-10-19(2)12-20(11-18)25-16-31-27-14-26(29)23(21-15-32-33(3)17-21)13-24(27)28(25)34-9-7-22-6-4-5-8-30-22/h10-17,22,30H,4-9H2,1-3H3/t22-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50341578
PNG
(3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(O)c1
Show InChI InChI=1S/C26H25ClN2O2/c1-16-9-17(2)11-19(10-16)23-15-29-25-14-24(27)21(18-5-3-6-20(30)12-18)13-22(25)26(23)31-8-4-7-28/h3,5-6,9-15,30H,4,7-8,28H2,1-2H3
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay


J Med Chem 54: 2351-8 (2011)


Article DOI: 10.1021/jm101501b
BindingDB Entry DOI: 10.7270/Q2668DH8
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248648
PNG
(3,6-dichloro-2-fluoro-N-((1-(propylsulfonyl)-4-(py...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(F)c2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H24ClF2N3O3S/c1-2-13-31(29,30)27-11-8-21(9-12-27,17-5-3-4-10-25-17)14-26-20(28)18-15(23)6-7-16(24)19(18)22/h3-7,10H,2,8-9,11-14H2,1H3,(H,26,28)
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n/an/a 5.70n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195181
PNG
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28)
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n/an/a 6.30n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248646
PNG
(2,6-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-y...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(Cl)cccc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-14-30(28,29)26-12-9-21(10-13-26,18-8-3-4-11-24-18)15-25-20(27)19-16(22)6-5-7-17(19)23/h3-8,11H,2,9-10,12-15H2,1H3,(H,25,27)
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n/an/a 6.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248653
PNG
(2-chloro-N-((4-(6-methoxypyridin-2-yl)-1-(propylsu...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cccc(OC)n1
Show InChI InChI=1S/C22H28ClN3O4S/c1-3-15-31(28,29)26-13-11-22(12-14-26,19-9-6-10-20(25-19)30-2)16-24-21(27)17-7-4-5-8-18(17)23/h4-10H,3,11-16H2,1-2H3,(H,24,27)
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n/an/a 6.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248647
PNG
(2-amino-6-chloro-N-((1-(propylsulfonyl)-4-(pyridin...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(N)cccc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H27ClN4O3S/c1-2-14-30(28,29)26-12-9-21(10-13-26,18-8-3-4-11-24-18)15-25-20(27)19-16(22)6-5-7-17(19)23/h3-8,11H,2,9-10,12-15,23H2,1H3,(H,25,27)
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n/an/a 6.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248670
PNG
(2,4-dichloro-N-((4-(6-methoxypyridin-2-yl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccc(OC)n1
Show InChI InChI=1S/C22H27Cl2N3O4S/c1-3-13-32(29,30)27-11-9-22(10-12-27,19-5-4-6-20(26-19)31-2)15-25-21(28)17-8-7-16(23)14-18(17)24/h4-8,14H,3,9-13,15H2,1-2H3,(H,25,28)
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n/an/a 7.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
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