Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432261' 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)) | BDBM50432261
(UPEROLEIN)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C56H79N13O15S/c1-30(2)24-37(51(79)63-35(47(58)75)20-23-85-4)62-46(74)28-59-49(77)38(26-33-14-16-34(71)17-15-33)65-52(80)39(25-32-10-6-5-7-11-32)64-48(76)31(3)60-50(78)40(27-44(57)72)66-53(81)42-12-9-22-69(42)56(84)41(29-70)67-54(82)43-13-8-21-68(43)55(83)36-18-19-45(73)61-36/h5-7,10-11,14-17,30-31,35-43,70-71H,8-9,12-13,18-29H2,1-4H3,(H2,57,72)(H2,58,75)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,79)(H,64,76)(H,65,80)(H,66,81)(H,67,82)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 82 | 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)) | BDBM50432261
(UPEROLEIN)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C56H79N13O15S/c1-30(2)24-37(51(79)63-35(47(58)75)20-23-85-4)62-46(74)28-59-49(77)38(26-33-14-16-34(71)17-15-33)65-52(80)39(25-32-10-6-5-7-11-32)64-48(76)31(3)60-50(78)40(27-44(57)72)66-53(81)42-12-9-22-69(42)56(84)41(29-70)67-54(82)43-13-8-21-68(43)55(83)36-18-19-45(73)61-36/h5-7,10-11,14-17,30-31,35-43,70-71H,8-9,12-13,18-29H2,1-4H3,(H2,57,72)(H2,58,75)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,79)(H,64,76)(H,65,80)(H,66,81)(H,67,82)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.120 | 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 | |