Found 3 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50392404' 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 |
|---|
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392404
(CHEMBL2151645)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(=O)N[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)74-44(19-12-24-71-64(69)70-3)58(90)75-45(56(68)88)27-36-13-6-4-7-14-36)73-54(86)32-55(87)80-53(28-37-15-8-5-9-16-37)81-63(95)50(34-82)79-62(94)49(31-52(67)85)78-60(92)47(29-39-33-72-43-18-11-10-17-41(39)43)77-61(93)48(30-51(66)84)76-57(89)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,33,35,42,44-50,53,72,82-83H,12,19,24-32,34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,88)(H,73,86)(H,74,91)(H,75,90)(H,76,89)(H,77,93)(H,78,92)(H,79,94)(H,80,87)(H,81,95)(H3,69,70,71)/t42-,44+,45+,46+,47+,48+,49+,50+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human KISS1R |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Rattus norvegicus) | BDBM50392404
(CHEMBL2151645)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(=O)N[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)74-44(19-12-24-71-64(69)70-3)58(90)75-45(56(68)88)27-36-13-6-4-7-14-36)73-54(86)32-55(87)80-53(28-37-15-8-5-9-16-37)81-63(95)50(34-82)79-62(94)49(31-52(67)85)78-60(92)47(29-39-33-72-43-18-11-10-17-41(39)43)77-61(93)48(30-51(66)84)76-57(89)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,33,35,42,44-50,53,72,82-83H,12,19,24-32,34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,88)(H,73,86)(H,74,91)(H,75,90)(H,76,89)(H,77,93)(H,78,92)(H,79,94)(H,80,87)(H,81,95)(H3,69,70,71)/t42-,44+,45+,46+,47+,48+,49+,50+,53+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to rat KISS1R |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392404
(CHEMBL2151645)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(=O)N[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)74-44(19-12-24-71-64(69)70-3)58(90)75-45(56(68)88)27-36-13-6-4-7-14-36)73-54(86)32-55(87)80-53(28-37-15-8-5-9-16-37)81-63(95)50(34-82)79-62(94)49(31-52(67)85)78-60(92)47(29-39-33-72-43-18-11-10-17-41(39)43)77-61(93)48(30-51(66)84)76-57(89)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,33,35,42,44-50,53,72,82-83H,12,19,24-32,34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,88)(H,73,86)(H,74,91)(H,75,90)(H,76,89)(H,77,93)(H,78,92)(H,79,94)(H,80,87)(H,81,95)(H3,69,70,71)/t42-,44+,45+,46+,47+,48+,49+,50+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.950 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
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