BindingDB logo
myBDB logout

null

SMILES: CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2c(Cl)cccc2Cl)C1=O

InChI Key: InChIKey=OCODABQGCXUTLB-UHFFFAOYSA-N

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 = 50220513   
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
Substance-P receptor


(Homo sapiens (Human))		BDBM50220513
PNG
(CHEMBL82065)
Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2c(Cl)cccc2Cl)C1=O
Show InChI InChI=1S/C24H19Cl2F6N3O3/c1-33-20(37)22(5-7-34(8-6-22)19(36)18-16(25)3-2-4-17(18)26)35(21(33)38)12-13-9-14(23(27,28)29)11-15(10-13)24(30,31)32/h2-4,9-11H,5-8,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 646n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 12: 2519-22 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5QB9
More data for this
Ligand-Target Pair