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BDBM50325719 (R)-2-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-N-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxamide::CHEMBL1224119

SMILES: FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nnnn2Cc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=UZGGVASWAMSMGY-QGZVFWFLSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325719   
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))
BDBM50325719
PNG
((R)-2-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-N-(4-(...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nnnn2Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs


Bioorg Med Chem Lett 20: 5477-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.082
BindingDB Entry DOI: 10.7270/Q2319W3D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50325719
PNG
((R)-2-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-N-(4-(...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nnnn2Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA


Bioorg Med Chem Lett 20: 5477-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.082
BindingDB Entry DOI: 10.7270/Q2319W3D
More data for this
Ligand-Target Pair