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BDBM50445814 CHEMBL3104770

SMILES: CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=JTWBOGSLXPTDHG-RNZRUAGMNA-N

Data: 2 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 2 hits for monomerid = 50445814   
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))
BDBM50445814
PNG
(CHEMBL3104770)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1/C24H29Cl2N3O3/c1-24(2,18-14-19(25)16-20(26)15-18)23(31)28-21(17-6-4-3-5-7-17)22(30)27-8-9-29-10-12-32-13-11-29/h3-7,14-16,21H,8-13H2,1-2H3,(H,27,30)(H,28,31)/t21-/s2
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50445814
PNG
(CHEMBL3104770)
Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1/C24H29Cl2N3O3/c1-24(2,18-14-19(25)16-20(26)15-18)23(31)28-21(17-6-4-3-5-7-17)22(30)27-8-9-29-10-12-32-13-11-29/h3-7,14-16,21H,8-13H2,1-2H3,(H,27,30)(H,28,31)/t21-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair