Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50442973' 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)) | BDBM50442973
(CHEMBL3086285)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](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C56H76N16O11/c1-33(2)25-41(50(78)64-39(22-14-24-63-55(60)61-3)49(77)65-40(47(59)75)27-34-15-7-4-8-16-34)70-56(83)72-71-54(82)43(29-36-19-11-6-12-20-36)67-53(81)45(32-73)69-52(80)44(30-46(58)74)68-51(79)42(28-35-17-9-5-10-18-35)66-48(76)38(57)26-37-21-13-23-62-31-37/h4-13,15-21,23,31,33,38-45,73H,14,22,24-30,32,57H2,1-3H3,(H2,58,74)(H2,59,75)(H,64,78)(H,65,77)(H,66,76)(H,67,81)(H,68,79)(H,69,80)(H,71,82)(H3,60,61,63)(H2,70,72,83)/t38-,39+,40+,41+,42+,43+,44+,45+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | 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 expressed in CHO cell membranes |
J Med Chem 56: 8298-307 (2013)
Article DOI: 10.1021/jm401056w BindingDB Entry DOI: 10.7270/Q25M675S |
More data for this Ligand-Target Pair | |
KiSS-1 receptor
(Rattus norvegicus) | BDBM50442973
(CHEMBL3086285)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](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C56H76N16O11/c1-33(2)25-41(50(78)64-39(22-14-24-63-55(60)61-3)49(77)65-40(47(59)75)27-34-15-7-4-8-16-34)70-56(83)72-71-54(82)43(29-36-19-11-6-12-20-36)67-53(81)45(32-73)69-52(80)44(30-46(58)74)68-51(79)42(28-35-17-9-5-10-18-35)66-48(76)38(57)26-37-21-13-23-62-31-37/h4-13,15-21,23,31,33,38-45,73H,14,22,24-30,32,57H2,1-3H3,(H2,58,74)(H2,59,75)(H,64,78)(H,65,77)(H,66,76)(H,67,81)(H,68,79)(H,69,80)(H,71,82)(H3,60,61,63)(H2,70,72,83)/t38-,39+,40+,41+,42+,43+,44+,45+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | 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 |
J Med Chem 56: 8298-307 (2013)
Article DOI: 10.1021/jm401056w BindingDB Entry DOI: 10.7270/Q25M675S |
More data for this Ligand-Target Pair | |