Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50196426' 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)) | BDBM50196426
(CHEMBL3964403)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C63H82N16O13/c1-34(2)26-47(56(86)71-45(20-13-25-68-62(66)67-5)55(85)72-46(54(65)84)29-41-32-69-44-19-12-11-18-43(41)44)75-63(92)78-77-58(88)48(27-37-14-7-6-8-15-37)74-60(90)53(35(3)80)76-57(87)49(31-52(64)83)73-59(89)51-30-39-16-9-10-17-40(39)33-79(51)61(91)50(70-36(4)81)28-38-21-23-42(82)24-22-38/h6-12,14-19,21-24,32,34-35,45-51,53,69,80,82H,13,20,25-31,33H2,1-5H3,(H2,64,83)(H2,65,84)(H,70,81)(H,71,86)(H,72,85)(H,73,89)(H,74,90)(H,76,87)(H,77,88)(H3,66,67,68)(H2,75,78,92)/t35-,45+,46+,47+,48+,49+,50-,51+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.490 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye... |
J Med Chem 59: 8804-8811 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Rattus norvegicus) | BDBM50196426
(CHEMBL3964403)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C63H82N16O13/c1-34(2)26-47(56(86)71-45(20-13-25-68-62(66)67-5)55(85)72-46(54(65)84)29-41-32-69-44-19-12-11-18-43(41)44)75-63(92)78-77-58(88)48(27-37-14-7-6-8-15-37)74-60(90)53(35(3)80)76-57(87)49(31-52(64)83)73-59(89)51-30-39-16-9-10-17-40(39)33-79(51)61(91)50(70-36(4)81)28-38-21-23-42(82)24-22-38/h6-12,14-19,21-24,32,34-35,45-51,53,69,80,82H,13,20,25-31,33H2,1-5H3,(H2,64,83)(H2,65,84)(H,70,81)(H,71,86)(H,72,85)(H,73,89)(H,74,90)(H,76,87)(H,77,88)(H3,66,67,68)(H2,75,78,92)/t35-,45+,46+,47+,48+,49+,50-,51+,53+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b... |
J Med Chem 59: 8804-8811 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425 |
More data for this
Ligand-Target Pair | |
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