Found 739 hits with Last Name = 'dobbelaar' and Initial = 'ph' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400528
(CHEMBL2204934)Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C32H25FN4/c33-24-17-15-21(16-18-24)29-20-34-31(36-29)28-19-26-25-13-7-8-14-27(25)35-30(26)32(37-28,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,20,28,35,37H,19H2,(H,34,36)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400518
(CHEMBL2204942)Show SMILES Cn1cc(cn1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21FN6/c1-31-13-15(11-27-31)22-23-18(17-4-2-3-5-19(17)28-23)10-20(29-22)24-26-12-21(30-24)14-6-8-16(25)9-7-14/h2-9,11-13,20,22,28-29H,10H2,1H3,(H,26,30)/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389590
(CHEMBL2069502)Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C25H26N4O/c1-2-6-16(7-3-1)22-15-26-25(29-22)21-14-19-18-8-4-5-9-20(18)27-24(19)23(28-21)17-10-12-30-13-11-17/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t21-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 369 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400519
(CHEMBL2204941)Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r| Show InChI InChI=1S/C25H25FN4O/c26-17-7-5-15(6-8-17)22-14-27-25(30-22)21-13-19-18-3-1-2-4-20(18)28-24(19)23(29-21)16-9-11-31-12-10-16/h1-8,14,16,21,23,28-29H,9-13H2,(H,27,30)/t21-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 377 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400520
(CHEMBL2204932)Show SMILES Cc1nc(no1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19FN6O/c1-12-26-23(30-31-12)21-20-16(15-4-2-3-5-17(15)27-20)10-18(28-21)22-25-11-19(29-22)13-6-8-14(24)9-7-13/h2-9,11,18,21,27-28H,10H2,1H3,(H,25,29)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 385 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400526
(CHEMBL2204937)Show SMILES Cc1nc(no1)[C@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 462 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400525
(CHEMBL2204938)Show SMILES Cc1nc(no1)[C@@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 543 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400523
(CHEMBL2204940)Show SMILES Cc1nc(no1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1noc(C)n1 |r| Show InChI InChI=1S/C26H21FN8O2/c1-13-29-24(34-36-13)26(25-30-14(2)37-35-25)22-18(17-5-3-4-6-19(17)31-22)11-20(33-26)23-28-12-21(32-23)15-7-9-16(27)10-8-15/h3-10,12,20,31,33H,11H2,1-2H3,(H,28,32)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400527
(CHEMBL2204936)Show SMILES Cc1nc(no1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400517
(CHEMBL2204935)Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400522
(CHEMBL2204931)Show SMILES Cn1cc(cn1)[C@@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21FN6/c1-31-13-15(11-27-31)22-23-18(17-4-2-3-5-19(17)28-23)10-20(29-22)24-26-12-21(30-24)14-6-8-16(25)9-7-14/h2-9,11-13,20,22,28-29H,10H2,1H3,(H,26,30)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400521
(CHEMBL2204933)Show SMILES Cc1nc(no1)[C@@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19FN6O/c1-12-26-23(30-31-12)21-20-16(15-4-2-3-5-17(15)27-20)10-18(28-21)22-25-11-19(29-22)13-6-8-14(24)9-7-13/h2-9,11,18,21,27-28H,10H2,1H3,(H,25,29)/t18-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50400524
(CHEMBL2204939)Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled MK-499 from human ERG channel |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400525
(CHEMBL2204938)Show SMILES Cc1nc(no1)[C@@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50054462
(CHEMBL3323076)Show SMILES CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50053739
(CHEMBL3323084)Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50054462
(CHEMBL3323076)Show SMILES CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50054459
(CHEMBL3323074)Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400517
(CHEMBL2204935)Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from mouse SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50054459
(CHEMBL3323074)Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50054457
(CHEMBL3323072)Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329956
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C35H44ClF2N5O/c1-21-14-24-27(16-29(21)36)35(17-28(24)34(5,6)32-39-20-40-41(32)7)10-12-42(13-11-35)31(44)26-19-43(33(2,3)4)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,20,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329959
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1 |r| Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1 | PDB
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| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400524
(CHEMBL2204939)Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from mouse SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400517
(CHEMBL2204935)Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400524
(CHEMBL2204939)Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400525
(CHEMBL2204938)Show SMILES Cc1nc(no1)[C@@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m0/s1 | Reactome pathway
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from mouse SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50053739
(CHEMBL3323084)Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r| | Reactome pathway
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| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348579
(CHEMBL1801215)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1 | PDB
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| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50054457
(CHEMBL3323072)Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400523
(CHEMBL2204940)Show SMILES Cc1nc(no1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1noc(C)n1 |r| Show InChI InChI=1S/C26H21FN8O2/c1-13-29-24(34-36-13)26(25-30-14(2)37-35-25)22-18(17-5-3-4-6-19(17)31-22)11-20(33-26)23-28-12-21(32-23)15-7-9-16(27)10-8-15/h3-10,12,20,31,33H,11H2,1-2H3,(H,28,32)/t20-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from mouse SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50400527
(CHEMBL2204936)Show SMILES Cc1nc(no1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m1/s1 | Reactome pathway
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| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from mouse SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50054459
(CHEMBL3323074)Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50400517
(CHEMBL2204935)Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human somatostatin receptor type 3 |
Bioorg Med Chem Lett 26: 1529-35 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50400517
(CHEMBL2204935)Show SMILES Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from human SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50400524
(CHEMBL2204939)Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50054461
(CHEMBL3323073)Show SMILES CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348554
(CHEMBL1801095)Show SMILES CN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(43)39(7)8)11-13-40(14-12-35)31(42)26-20-41(33(2,3)4)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,11-14,18-20H2,1-8H3/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(MOUSE) | BDBM50053690
(CHEMBL3323082)Show SMILES Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r| Show InChI InChI=1S/C30H24FN7O2/c1-38-16-19(14-34-38)30(26-12-18(29(39)40)10-11-32-26)27-22(21-4-2-3-5-23(21)35-27)13-24(37-30)28-33-15-25(36-28)17-6-8-20(31)9-7-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,33,36)(H,39,40)/t24-,30+/m1/s1 | Reactome pathway
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| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50400524
(CHEMBL2204939)Show SMILES Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from human SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50400528
(CHEMBL2204934)Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C32H25FN4/c33-24-17-15-21(16-18-24)29-20-34-31(36-29)28-19-26-25-13-7-8-14-27(25)35-30(26)32(37-28,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,20,28,35,37H,19H2,(H,34,36)/t28-/m1/s1 | Reactome pathway
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| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from human SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50400525
(CHEMBL2204938)Show SMILES Cc1nc(no1)[C@@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m0/s1 | Reactome pathway
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| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50054459
(CHEMBL3323074)Show SMILES CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50054462
(CHEMBL3323076)Show SMILES CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50054457
(CHEMBL3323072)Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| | Reactome pathway
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| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer |
ACS Med Chem Lett 5: 748-53 (2014)
Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329958
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H44ClF2N5O2/c1-22-15-26-29(17-31(22)37)36(18-30(26)35(2,3)34-40-21-41-42(34)4)9-11-43(12-10-36)33(45)28-20-44(24-7-13-46-14-8-24)19-27(28)25-6-5-23(38)16-32(25)39/h5-6,15-17,21,24,27-28,30H,7-14,18-20H2,1-4H3/t27-,28+,30-/m0/s1 | PDB
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| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348574
(CHEMBL1801146)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-15-46-16-14-42)9-11-41(12-10-37)33(44)28-22-43(35(2,3)4)21-27(28)25-8-7-24(39)18-32(25)40/h7-8,17-19,27-28,30H,9-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1 | PDB
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| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348580
(CHEMBL1801216)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1 | PDB
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| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323446
(2-((S)-1'-((3S,4R)-1-tert-butyl-4-(2,4-difluorophe...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C32H38ClF2N3O2/c1-19-13-22-25(15-26(19)33)32(40-28(22)31(5,6)18-36)9-11-37(12-10-32)29(39)24-17-38(30(2,3)4)16-23(24)21-8-7-20(34)14-27(21)35/h7-8,13-15,23-24,28H,9-12,16-17H2,1-6H3/t23-,24+,28-/m0/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50400525
(CHEMBL2204938)Show SMILES Cc1nc(no1)[C@@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27+/m0/s1 | Reactome pathway
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| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]SS-28 from human SSTR3 transfected in CHO cells after 60 to 90 mins |
ACS Med Chem Lett 3: 484-489 (2012)
Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C |
More data for this
Ligand-Target Pair | |
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