Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50196423' 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
(Rattus norvegicus) | BDBM50196423
(CHEMBL3977314)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=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/C58H79FN16O15/c1-29(2)22-42(52(85)67-39(14-9-21-64-57(62)63-5)50(83)69-41(49(61)82)26-34-28-65-38-13-7-6-12-37(34)38)72-58(90)75-74-55(88)44(25-33-10-8-11-35(59)23-33)71-56(89)48(30(3)76)73-54(87)45(27-46(60)79)70-51(84)40(19-20-47(80)81)68-53(86)43(66-31(4)77)24-32-15-17-36(78)18-16-32/h6-8,10-13,15-18,23,28-30,39-45,48,65,76,78H,9,14,19-22,24-27H2,1-5H3,(H2,60,79)(H2,61,82)(H,66,77)(H,67,85)(H,68,86)(H,69,83)(H,70,84)(H,71,89)(H,73,87)(H,74,88)(H,80,81)(H3,62,63,64)(H2,72,75,90)/t30-,39+,40+,41+,42+,43-,44+,45+,48+/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 | 20 | 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 | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50196423
(CHEMBL3977314)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=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/C58H79FN16O15/c1-29(2)22-42(52(85)67-39(14-9-21-64-57(62)63-5)50(83)69-41(49(61)82)26-34-28-65-38-13-7-6-12-37(34)38)72-58(90)75-74-55(88)44(25-33-10-8-11-35(59)23-33)71-56(89)48(30(3)76)73-54(87)45(27-46(60)79)70-51(84)40(19-20-47(80)81)68-53(86)43(66-31(4)77)24-32-15-17-36(78)18-16-32/h6-8,10-13,15-18,23,28-30,39-45,48,65,76,78H,9,14,19-22,24-27H2,1-5H3,(H2,60,79)(H2,61,82)(H,66,77)(H,67,85)(H,68,86)(H,69,83)(H,70,84)(H,71,89)(H,73,87)(H,74,88)(H,80,81)(H3,62,63,64)(H2,72,75,90)/t30-,39+,40+,41+,42+,43-,44+,45+,48+/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 | 0.470 | 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 | |