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BDBM50174721 CHEMBL371248::N-(2-(3-(8-(4-fluorobenzyl)-3,8-diaza-bicyclo[3.2.1]octan-3-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide

SMILES: CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CC2CCC(C1)N2Cc1ccc(F)cc1

InChI Key: InChIKey=WVUZZGNQHVFNKJ-VZUCSPMQSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174721   
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
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50174721
PNG
(CHEMBL371248 | N-(2-(3-(8-(4-fluorobenzyl)-3,8-dia...)
Show SMILES CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CC2CCC(C1)N2Cc1ccc(F)cc1
Show InChI InChI=1S/C24H25ClFN3O2/c1-16(30)27-23-12-19(25)6-4-18(23)5-11-24(31)28-14-21-9-10-22(15-28)29(21)13-17-2-7-20(26)8-3-17/h2-8,11-12,21-22H,9-10,13-15H2,1H3,(H,27,30)/b11-5+
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at human CCR1 in CHO-K1 cells


Bioorg Med Chem Lett 15: 5160-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.057
BindingDB Entry DOI: 10.7270/Q2C53MMD
More data for this
Ligand-Target Pair