Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432265' 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)) | BDBM50432265
(CHEMBL2347498)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)CNC(=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/C53H75N13O14S2/c1-30(2)20-37(50(77)62-35(46(55)73)16-18-81-4)60-42(67)28-58-52(79)41(22-32-14-10-7-11-15-32)66(3)53(80)40(21-31-12-8-6-9-13-31)61-43(68)27-57-48(75)39(25-45(71)72)65-51(78)38(23-33-26-56-29-59-33)64-49(76)36(17-19-82-5)63-47(74)34(54)24-44(69)70/h6-15,26,29-30,34-41H,16-25,27-28,54H2,1-5H3,(H2,55,73)(H,56,59)(H,57,75)(H,58,79)(H,60,67)(H,61,68)(H,62,77)(H,63,74)(H,64,76)(H,65,78)(H,69,70)(H,71,72)/t34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | 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)) | BDBM50432265
(CHEMBL2347498)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)CNC(=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/C53H75N13O14S2/c1-30(2)20-37(50(77)62-35(46(55)73)16-18-81-4)60-42(67)28-58-52(79)41(22-32-14-10-7-11-15-32)66(3)53(80)40(21-31-12-8-6-9-13-31)61-43(68)27-57-48(75)39(25-45(71)72)65-51(78)38(23-33-26-56-29-59-33)64-49(76)36(17-19-82-5)63-47(74)34(54)24-44(69)70/h6-15,26,29-30,34-41H,16-25,27-28,54H2,1-5H3,(H2,55,73)(H,56,59)(H,57,75)(H,58,79)(H,60,67)(H,61,68)(H,62,77)(H,63,74)(H,64,76)(H,65,78)(H,69,70)(H,71,72)/t34-,35-,36-,37-,38-,39-,40-,41-/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 | 0.0360 | 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 | |