Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50442981' 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)) | BDBM50442981
(CHEMBL3087926)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](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)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/C62H83N17O14/c1-34(2)25-45(55(87)70-43(19-12-24-68-61(66)67-3)54(86)71-44(52(65)84)27-35-13-6-4-7-14-35)77-62(93)79-78-60(92)46(28-36-15-8-5-9-16-36)72-59(91)50(33-81)76-57(89)48(30-51(64)83)74-56(88)47(29-38-31-69-42-18-11-10-17-40(38)42)73-58(90)49(32-80)75-53(85)41(63)26-37-20-22-39(82)23-21-37/h4-11,13-18,20-23,31,34,41,43-50,69,80-82H,12,19,24-30,32-33,63H2,1-3H3,(H2,64,83)(H2,65,84)(H,70,87)(H,71,86)(H,72,91)(H,73,90)(H,74,88)(H,75,85)(H,76,89)(H,78,92)(H3,66,67,68)(H2,77,79,93)/t41-,43+,44+,45+,46+,47+,48+,49-,50+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0860 | 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) | BDBM50442981
(CHEMBL3087926)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](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)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/C62H83N17O14/c1-34(2)25-45(55(87)70-43(19-12-24-68-61(66)67-3)54(86)71-44(52(65)84)27-35-13-6-4-7-14-35)77-62(93)79-78-60(92)46(28-36-15-8-5-9-16-36)72-59(91)50(33-81)76-57(89)48(30-51(64)83)74-56(88)47(29-38-31-69-42-18-11-10-17-40(38)42)73-58(90)49(32-80)75-53(85)41(63)26-37-20-22-39(82)23-21-37/h4-11,13-18,20-23,31,34,41,43-50,69,80-82H,12,19,24-30,32-33,63H2,1-3H3,(H2,64,83)(H2,65,84)(H,70,87)(H,71,86)(H,72,91)(H,73,90)(H,74,88)(H,75,85)(H,76,89)(H,78,92)(H3,66,67,68)(H2,77,79,93)/t41-,43+,44+,45+,46+,47+,48+,49-,50+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0930 | 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 | |