Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432243' 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 |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50432243
(CHEMBL2347513)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C57H79N15O14S2/c1-32(2)20-40(52(81)66-38(49(59)78)16-18-87-4)65-46(73)29-62-56(85)45(22-34-14-10-7-11-15-34)72(3)57(86)44(21-33-12-8-6-9-13-33)71-54(83)42(24-36-28-61-31-64-36)69-55(84)43(26-48(76)77)70-53(82)41(23-35-27-60-30-63-35)68-51(80)39(17-19-88-5)67-50(79)37(58)25-47(74)75/h6-15,27-28,30-32,37-45H,16-26,29,58H2,1-5H3,(H2,59,78)(H,60,63)(H,61,64)(H,62,85)(H,65,73)(H,66,81)(H,67,79)(H,68,80)(H,69,84)(H,70,82)(H,71,83)(H,74,75)(H,76,77)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis |
Bioorg Med Chem 21: 2413-7 (2013)
Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2 |
More data for this Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50432243
(CHEMBL2347513)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C57H79N15O14S2/c1-32(2)20-40(52(81)66-38(49(59)78)16-18-87-4)65-46(73)29-62-56(85)45(22-34-14-10-7-11-15-34)72(3)57(86)44(21-33-12-8-6-9-13-33)71-54(83)42(24-36-28-61-31-64-36)69-55(84)43(26-48(76)77)70-53(82)41(23-35-27-60-30-63-35)68-51(80)39(17-19-88-5)67-50(79)37(58)25-47(74)75/h6-15,27-28,30-32,37-45H,16-26,29,58H2,1-5H3,(H2,59,78)(H,60,63)(H,61,64)(H,62,85)(H,65,73)(H,66,81)(H,67,79)(H,68,80)(H,69,84)(H,70,82)(H,71,83)(H,74,75)(H,76,77)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0170 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM |
Bioorg Med Chem 21: 2413-7 (2013)
Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2 |
More data for this Ligand-Target Pair | |