Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50045037' 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
(Rattus norvegicus (Rat)) | BDBM50045037
(CHEMBL3144352 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:41.44,37.40,wD:11.11,22.24,THB:39:41:44.43:46.47,(10.7,-11.55,;10.4,-10.04,;11.55,-9.02,;13.01,-9.52,;14.17,-8.5,;15.63,-8.99,;15.93,-10.5,;14.77,-11.52,;13.31,-11.03,;8.94,-9.55,;8.63,-8.04,;7.78,-10.56,;8.08,-12.07,;6.93,-13.09,;7.23,-14.6,;6.07,-15.62,;4.61,-15.12,;4.31,-13.61,;5.47,-12.6,;6.32,-10.07,;5.16,-11.09,;4.52,-12.48,;3.71,-10.59,;3.4,-9.08,;4.56,-8.07,;6.06,-8.4,;6.85,-7.08,;5.83,-5.92,;6.01,-4.39,;4.78,-3.47,;3.36,-4.08,;3.18,-5.61,;4.42,-6.53,;2.55,-11.61,;1.09,-11.12,;.79,-9.61,;-.07,-12.13,;-1.53,-11.64,;-1.83,-10.13,;-3.29,-9.63,;-3.59,-8.12,;-4.44,-10.65,;-5.8,-10.12,;-7.3,-10.77,;-7.1,-12.18,;-5.54,-11.51,;-5.28,-9.58,;-5.73,-8.44,;-4.14,-12.16,;-2.68,-12.66,;-2.38,-14.17,)| Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 65 | 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 | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50045037
(CHEMBL3144352 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:41.44,37.40,wD:11.11,22.24,THB:39:41:44.43:46.47,(10.7,-11.55,;10.4,-10.04,;11.55,-9.02,;13.01,-9.52,;14.17,-8.5,;15.63,-8.99,;15.93,-10.5,;14.77,-11.52,;13.31,-11.03,;8.94,-9.55,;8.63,-8.04,;7.78,-10.56,;8.08,-12.07,;6.93,-13.09,;7.23,-14.6,;6.07,-15.62,;4.61,-15.12,;4.31,-13.61,;5.47,-12.6,;6.32,-10.07,;5.16,-11.09,;4.52,-12.48,;3.71,-10.59,;3.4,-9.08,;4.56,-8.07,;6.06,-8.4,;6.85,-7.08,;5.83,-5.92,;6.01,-4.39,;4.78,-3.47,;3.36,-4.08,;3.18,-5.61,;4.42,-6.53,;2.55,-11.61,;1.09,-11.12,;.79,-9.61,;-.07,-12.13,;-1.53,-11.64,;-1.83,-10.13,;-3.29,-9.63,;-3.59,-8.12,;-4.44,-10.65,;-5.8,-10.12,;-7.3,-10.77,;-7.1,-12.18,;-5.54,-11.51,;-5.28,-9.58,;-5.73,-8.44,;-4.14,-12.16,;-2.68,-12.66,;-2.38,-14.17,)| Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 65 | 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 | |
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