Found 3 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50392408' 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)) | BDBM50392408
(CHEMBL2151649)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:70.71| Show InChI InChI=1S/C58H85N17O14/c1-6-32(4)47(73-53(85)43(29-46(61)79)68-49(81)37(59)25-35-19-21-36(77)22-20-35)56(88)70-42(28-45(60)78)52(84)71-44(30-76)54(86)69-41(27-34-16-11-8-12-17-34)55(87)74-75-58(89)72-40(24-31(2)3)51(83)66-38(18-13-23-65-57(63)64-5)50(82)67-39(48(62)80)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,31-32,37-44,47,76-77H,6,13,18,23-30,59H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,80)(H,66,83)(H,67,82)(H,68,81)(H,69,86)(H,70,88)(H,71,84)(H,73,85)(H,74,87)(H3,63,64,65)(H2,72,75,89)/t32-,37+,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | 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) | BDBM50392408
(CHEMBL2151649)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:70.71| Show InChI InChI=1S/C58H85N17O14/c1-6-32(4)47(73-53(85)43(29-46(61)79)68-49(81)37(59)25-35-19-21-36(77)22-20-35)56(88)70-42(28-45(60)78)52(84)71-44(30-76)54(86)69-41(27-34-16-11-8-12-17-34)55(87)74-75-58(89)72-40(24-31(2)3)51(83)66-38(18-13-23-65-57(63)64-5)50(82)67-39(48(62)80)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,31-32,37-44,47,76-77H,6,13,18,23-30,59H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,80)(H,66,83)(H,67,82)(H,68,81)(H,69,86)(H,70,88)(H,71,84)(H,73,85)(H,74,87)(H3,63,64,65)(H2,72,75,89)/t32-,37+,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | 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)) | BDBM50392408
(CHEMBL2151649)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:70.71| Show InChI InChI=1S/C58H85N17O14/c1-6-32(4)47(73-53(85)43(29-46(61)79)68-49(81)37(59)25-35-19-21-36(77)22-20-35)56(88)70-42(28-45(60)78)52(84)71-44(30-76)54(86)69-41(27-34-16-11-8-12-17-34)55(87)74-75-58(89)72-40(24-31(2)3)51(83)66-38(18-13-23-65-57(63)64-5)50(82)67-39(48(62)80)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,31-32,37-44,47,76-77H,6,13,18,23-30,59H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,80)(H,66,83)(H,67,82)(H,68,81)(H,69,86)(H,70,88)(H,71,84)(H,73,85)(H,74,87)(H3,63,64,65)(H2,72,75,89)/t32-,37+,38-,39-,40-,41-,42-,43-,44-,47-/m0/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 | 0.130 | 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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