Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432264' 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)) | BDBM50432264
(CHEMBL2347657)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C55H81N13O17S/c1-28(2)23-34(48(78)61-31(46(57)76)19-22-86-5)60-42(71)27-58-53(83)45(29(3)4)66-50(80)35(24-30-11-7-6-8-12-30)63-47(77)32(16-18-43(72)73)62-49(79)36(26-44(74)75)64-51(81)38-13-10-21-68(38)55(85)37(25-40(56)69)65-52(82)39-14-9-20-67(39)54(84)33-15-17-41(70)59-33/h6-8,11-12,28-29,31-39,45H,9-10,13-27H2,1-5H3,(H2,56,69)(H2,57,76)(H,58,83)(H,59,70)(H,60,71)(H,61,78)(H,62,79)(H,63,77)(H,64,81)(H,65,82)(H,66,80)(H,72,73)(H,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | 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)) | BDBM50432264
(CHEMBL2347657)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C55H81N13O17S/c1-28(2)23-34(48(78)61-31(46(57)76)19-22-86-5)60-42(71)27-58-53(83)45(29(3)4)66-50(80)35(24-30-11-7-6-8-12-30)63-47(77)32(16-18-43(72)73)62-49(79)36(26-44(74)75)64-51(81)38-13-10-21-68(38)55(85)37(25-40(56)69)65-52(82)39-14-9-20-67(39)54(84)33-15-17-41(70)59-33/h6-8,11-12,28-29,31-39,45H,9-10,13-27H2,1-5H3,(H2,56,69)(H2,57,76)(H,58,83)(H,59,70)(H,60,71)(H,61,78)(H,62,79)(H,63,77)(H,64,81)(H,65,82)(H,66,80)(H,72,73)(H,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0790 | 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 | |