Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50196428' 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) | BDBM50196428
(CHEMBL3976038)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](CC(C)C)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/C59H84N16O13/c1-31(2)24-43(69-54(84)45(66-34(6)77)27-36-19-21-38(78)22-20-36)52(82)70-47(29-48(60)79)55(85)73-49(33(5)76)57(87)71-46(26-35-14-9-8-10-15-35)56(86)74-75-59(88)72-44(25-32(3)4)53(83)67-41(18-13-23-64-58(62)63-7)51(81)68-42(50(61)80)28-37-30-65-40-17-12-11-16-39(37)40/h8-12,14-17,19-22,30-33,41-47,49,65,76,78H,13,18,23-29H2,1-7H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,83)(H,68,81)(H,69,84)(H,70,82)(H,71,87)(H,73,85)(H,74,86)(H3,62,63,64)(H2,72,75,88)/t33-,41+,42+,43-,44+,45-,46+,47+,49+/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 | 12 | 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)) | BDBM50196428
(CHEMBL3976038)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](CC(C)C)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/C59H84N16O13/c1-31(2)24-43(69-54(84)45(66-34(6)77)27-36-19-21-38(78)22-20-36)52(82)70-47(29-48(60)79)55(85)73-49(33(5)76)57(87)71-46(26-35-14-9-8-10-15-35)56(86)74-75-59(88)72-44(25-32(3)4)53(83)67-41(18-13-23-64-58(62)63-7)51(81)68-42(50(61)80)28-37-30-65-40-17-12-11-16-39(37)40/h8-12,14-17,19-22,30-33,41-47,49,65,76,78H,13,18,23-29H2,1-7H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,83)(H,68,81)(H,69,84)(H,70,82)(H,71,87)(H,73,85)(H,74,86)(H3,62,63,64)(H2,72,75,88)/t33-,41+,42+,43-,44+,45-,46+,47+,49+/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 | 2 | 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 | |