Found 3 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50392412' 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)) | BDBM50392412
(CHEMBL2151653)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](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)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/C65H85N17O14/c1-36(2)27-47(58(90)73-45(19-12-26-72-64(70)71-3)57(89)74-46(55(69)87)30-37-13-6-4-7-14-37)80-65(96)82-81-63(95)49(31-38-15-8-5-9-16-38)77-62(94)52(35-83)79-61(93)51(34-54(68)86)78-59(91)48(32-40-20-23-41-17-10-11-18-42(41)28-40)76-60(92)50(33-53(67)85)75-56(88)44(66)29-39-21-24-43(84)25-22-39/h4-11,13-18,20-25,28,36,44-52,83-84H,12,19,26-27,29-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,87)(H,73,90)(H,74,89)(H,75,88)(H,76,92)(H,77,94)(H,78,91)(H,79,93)(H,81,95)(H3,70,71,72)(H2,80,82,96)/t44-,45+,46+,47+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.130 | 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) | BDBM50392412
(CHEMBL2151653)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](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)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/C65H85N17O14/c1-36(2)27-47(58(90)73-45(19-12-26-72-64(70)71-3)57(89)74-46(55(69)87)30-37-13-6-4-7-14-37)80-65(96)82-81-63(95)49(31-38-15-8-5-9-16-38)77-62(94)52(35-83)79-61(93)51(34-54(68)86)78-59(91)48(32-40-20-23-41-17-10-11-18-42(41)28-40)76-60(92)50(33-53(67)85)75-56(88)44(66)29-39-21-24-43(84)25-22-39/h4-11,13-18,20-25,28,36,44-52,83-84H,12,19,26-27,29-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,87)(H,73,90)(H,74,89)(H,75,88)(H,76,92)(H,77,94)(H,78,91)(H,79,93)(H,81,95)(H3,70,71,72)(H2,80,82,96)/t44-,45+,46+,47+,48+,49+,50+,51+,52+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | 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)) | BDBM50392412
(CHEMBL2151653)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](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)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/C65H85N17O14/c1-36(2)27-47(58(90)73-45(19-12-26-72-64(70)71-3)57(89)74-46(55(69)87)30-37-13-6-4-7-14-37)80-65(96)82-81-63(95)49(31-38-15-8-5-9-16-38)77-62(94)52(35-83)79-61(93)51(34-54(68)86)78-59(91)48(32-40-20-23-41-17-10-11-18-42(41)28-40)76-60(92)50(33-53(67)85)75-56(88)44(66)29-39-21-24-43(84)25-22-39/h4-11,13-18,20-25,28,36,44-52,83-84H,12,19,26-27,29-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,87)(H,73,90)(H,74,89)(H,75,88)(H,76,92)(H,77,94)(H,78,91)(H,79,93)(H,81,95)(H3,70,71,72)(H2,80,82,96)/t44-,45+,46+,47+,48+,49+,50+,51+,52+/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 | 0.0980 | 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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