Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50196481' 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) | BDBM50196481
(CHEMBL3957784)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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/C64H82FN17O13/c1-33(2)25-48(57(89)74-46(15-10-24-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-13-8-6-11-42(38)44)79-64(95)82-81-61(93)50(27-36-16-20-40(65)21-17-36)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-14-9-7-12-43(39)45)76-58(90)49(73-35(4)84)26-37-18-22-41(85)23-19-37/h6-9,11-14,16-23,31-34,46-52,54,71-72,83,85H,10,15,24-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51-,52+,54+/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 | 4.70 | 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)) | BDBM50196481
(CHEMBL3957784)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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/C64H82FN17O13/c1-33(2)25-48(57(89)74-46(15-10-24-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-13-8-6-11-42(38)44)79-64(95)82-81-61(93)50(27-36-16-20-40(65)21-17-36)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-14-9-7-12-43(39)45)76-58(90)49(73-35(4)84)26-37-18-22-41(85)23-19-37/h6-9,11-14,16-23,31-34,46-52,54,71-72,83,85H,10,15,24-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51-,52+,54+/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 | 1.90 | 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 | |