Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50003933 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 |
|---|
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50477760
(CHEMBL250973)Show SMILES CCOc1ccc(CC(=O)N2CCc3cc(OC)c(cc23)N2C[C@H](C)N(C)[C@H](C)C2)cc1Cl Show InChI InChI=1S/C26H34ClN3O3/c1-6-33-24-8-7-19(11-21(24)27)12-26(31)30-10-9-20-13-25(32-5)23(14-22(20)30)29-15-17(2)28(4)18(3)16-29/h7-8,11,13-14,17-18H,6,9-10,12,15-16H2,1-5H3/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at 5HT1B receptor |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50477753
(CHEMBL399704)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N(C)[C@H](C)C1)S(=O)(=O)c1cccc(Br)c1 Show InChI InChI=1S/C22H28BrN3O3S/c1-15-13-25(14-16(2)24(15)3)21-12-20-17(10-22(21)29-4)8-9-26(20)30(27,28)19-7-5-6-18(23)11-19/h5-7,10-12,15-16H,8-9,13-14H2,1-4H3/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at 5HT1B receptor |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477755
(CHEMBL401133)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)Cc1cccc(I)c1 Show InChI InChI=1S/C22H28IN3O3S/c1-15-12-25(13-16(2)24-15)21-11-20-18(10-22(21)29-3)7-8-26(20)30(27,28)14-17-5-4-6-19(23)9-17/h4-6,9-11,15-16,24H,7-8,12-14H2,1-3H3/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477756
(CHEMBL251573)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccon1 Show InChI InChI=1S/C22H26N4O4S2/c1-14-12-25(13-15(2)23-14)19-11-18-16(10-20(19)29-3)6-8-26(18)32(27,28)22-5-4-21(31-22)17-7-9-30-24-17/h4-5,7,9-11,14-15,23H,6,8,12-13H2,1-3H3/t14-,15+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477757
(CHEMBL248745)Show SMILES COc1cc2CCN(c2cc1N1C[C@@H](C)NC(C)(C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C25H30N4O3S2/c1-17-15-28(16-25(2,3)27-17)21-14-20-18(13-22(21)32-4)10-12-29(20)34(30,31)24-9-8-23(33-24)19-7-5-6-11-26-19/h5-9,11,13-14,17,27H,10,12,15-16H2,1-4H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412954
(CHEMBL251572 | SB-791016 | SB-791016A)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 |r| Show InChI InChI=1S/C24H28N4O3S2/c1-16-14-27(15-17(2)26-16)21-13-20-18(12-22(21)31-3)9-11-28(20)33(29,30)24-8-7-23(32-24)19-6-4-5-10-25-19/h4-8,10,12-13,16-17,26H,9,11,14-15H2,1-3H3/t16-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477758
(CHEMBL251366)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C26H30N4O3S/c1-18-16-29(17-19(2)28-18)25-15-24-21(14-26(25)33-3)10-12-30(24)34(31,32)22-8-6-7-20(13-22)23-9-4-5-11-27-23/h4-9,11,13-15,18-19,28H,10,12,16-17H2,1-3H3/t18-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477759
(CHEMBL400124)Show SMILES COc1cc2CCN(c2cc1N1CCN[C@@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C23H26N4O3S2/c1-16-15-26(12-10-24-16)20-14-19-17(13-21(20)30-2)8-11-27(19)32(28,29)23-7-6-22(31-23)18-5-3-4-9-25-18/h3-7,9,13-14,16,24H,8,10-12,15H2,1-2H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477761
(CHEMBL251365)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)CCc1ccccc1Cl Show InChI InChI=1S/C23H30ClN3O3S/c1-16-14-26(15-17(2)25-16)22-13-21-19(12-23(22)30-3)8-10-27(21)31(28,29)11-9-18-6-4-5-7-20(18)24/h4-7,12-13,16-17,25H,8-11,14-15H2,1-3H3/t16-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477762
(CHEMBL248542)Show SMILES COc1cc2CCN(c2cc1N1CCN[C@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C23H26N4O3S2/c1-16-15-26(12-10-24-16)20-14-19-17(13-21(20)30-2)8-11-27(19)32(28,29)23-7-6-22(31-23)18-5-3-4-9-25-18/h3-7,9,13-14,16,24H,8,10-12,15H2,1-2H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477763
(CHEMBL400125)Show SMILES COc1cc2CCN(c2cc1N1CCNCC1)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C22H24N4O3S2/c1-29-20-14-16-7-11-26(18(16)15-19(20)25-12-9-23-10-13-25)31(27,28)22-6-5-21(30-22)17-4-2-3-8-24-17/h2-6,8,14-15,23H,7,9-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477764
(CHEMBL401134)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C26H30N4O3S/c1-18-16-29(17-19(2)28-18)25-15-24-21(14-26(25)33-3)11-13-30(24)34(31,32)22-9-7-20(8-10-22)23-6-4-5-12-27-23/h4-10,12,14-15,18-19,28H,11,13,16-17H2,1-3H3/t18-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477765
(CHEMBL430398)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N(C)[C@H](C)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H31N3O3S/c1-18-16-28(17-19(2)27(18)3)25-15-24-22(14-26(25)32-4)11-12-29(24)33(30,31)23-10-9-20-7-5-6-8-21(20)13-23/h5-10,13-15,18-19H,11-12,16-17H2,1-4H3/t18-,19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477760
(CHEMBL250973)Show SMILES CCOc1ccc(CC(=O)N2CCc3cc(OC)c(cc23)N2C[C@H](C)N(C)[C@H](C)C2)cc1Cl Show InChI InChI=1S/C26H34ClN3O3/c1-6-33-24-8-7-19(11-21(24)27)12-26(31)30-10-9-20-13-25(32-5)23(14-22(20)30)29-15-17(2)28(4)18(3)16-29/h7-8,11,13-14,17-18H,6,9-10,12,15-16H2,1-5H3/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477766
(CHEMBL248746)Show SMILES COc1cc2CCN(c2cc1N1CCNC(C)(C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C24H28N4O3S2/c1-24(2)16-27(13-11-26-24)20-15-19-17(14-21(20)31-3)9-12-28(19)33(29,30)23-8-7-22(32-23)18-6-4-5-10-25-18/h4-8,10,14-15,26H,9,11-13,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477767
(CHEMBL248544)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)NC(C)(C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C25H30N4O3S2/c1-17-15-28(16-25(2,3)27-17)21-14-20-18(13-22(21)32-4)10-12-29(20)34(30,31)24-9-8-23(33-24)19-7-5-6-11-26-19/h5-9,11,13-14,17,27H,10,12,15-16H2,1-4H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477753
(CHEMBL399704)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N(C)[C@H](C)C1)S(=O)(=O)c1cccc(Br)c1 Show InChI InChI=1S/C22H28BrN3O3S/c1-15-13-25(14-16(2)24(15)3)21-12-20-17(10-22(21)29-4)8-9-26(20)30(27,28)19-7-5-6-18(23)11-19/h5-7,10-12,15-16H,8-9,13-14H2,1-4H3/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50477754
(CHEMBL251169)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N3O3S/c1-17-15-27(16-18(2)26-17)24-14-23-21(13-25(24)31-3)10-11-28(23)32(29,30)22-9-8-19-6-4-5-7-20(19)12-22/h4-9,12-14,17-18,26H,10-11,15-16H2,1-3H3/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at GSHR by FLIPR assay |
Bioorg Med Chem Lett 17: 6584-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2 |
More data for this
Ligand-Target Pair | |
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