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BDBM50408858 CHEMBL2113680

SMILES: CCOC(=O)COc1c(nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1)-c1ccccc1

InChI Key: InChIKey=RCLLEVTVIPLVMM-QHCPKHFHSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408858   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50408858
PNG
(CHEMBL2113680)
Show SMILES CCOC(=O)COc1c(nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H28N2O4/c1-3-23(20-13-7-5-8-14-20)31-29(33)26-22-17-11-12-18-24(22)30-27(21-15-9-6-10-16-21)28(26)35-19-25(32)34-4-2/h5-18,23H,3-4,19H2,1-2H3,(H,31,33)/t23-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB


J Med Chem 42: 1053-65 (1999)


Article DOI: 10.1021/jm980633c
BindingDB Entry DOI: 10.7270/Q2F47PTQ
More data for this
Ligand-Target Pair