Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50045032' 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 |
|---|
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045032
(CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045032
(CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 489 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Search and Browse
