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BDBM50301330 5-chloro-6-(4-((2S)-1-(4-chlorobenzyl)-2-methylpiperidin-4-yl)piperazin-1-yl)-N-methylnicotinamide::CHEMBL569117

SMILES: CNC(=O)c1cnc(N2CCN(CC2)C2CCN(Cc3ccc(Cl)cc3)[C@@H](C)C2)c(Cl)c1

InChI Key: InChIKey=JFLKYMMSUKNRQT-PBVYKCSPSA-N

Data: 1 KI  1 IC50

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 = 50301330   
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-X-C chemokine receptor type 3 (CXCR3A)


(Homo sapiens (Human))
BDBM50301330
PNG
(5-chloro-6-(4-((2S)-1-(4-chlorobenzyl)-2-methylpip...)
Show SMILES CNC(=O)c1cnc(N2CCN(CC2)C2CCN(Cc3ccc(Cl)cc3)[C@@H](C)C2)c(Cl)c1
Show InChI InChI=1S/C24H31Cl2N5O/c1-17-13-21(7-8-31(17)16-18-3-5-20(25)6-4-18)29-9-11-30(12-10-29)23-22(26)14-19(15-28-23)24(32)27-2/h3-6,14-15,17,21H,7-13,16H2,1-2H3,(H,27,32)/t17-,21?/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting


Bioorg Med Chem Lett 19: 5205-8 (2009)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3 (CXCR3A)


(Homo sapiens (Human))
BDBM50301330
PNG
(5-chloro-6-(4-((2S)-1-(4-chlorobenzyl)-2-methylpip...)
Show SMILES CNC(=O)c1cnc(N2CCN(CC2)C2CCN(Cc3ccc(Cl)cc3)[C@@H](C)C2)c(Cl)c1
Show InChI InChI=1S/C24H31Cl2N5O/c1-17-13-21(7-8-31(17)16-18-3-5-20(25)6-4-18)29-9-11-30(12-10-29)23-22(26)14-19(15-28-23)24(32)27-2/h3-6,14-15,17,21H,7-13,16H2,1-2H3,(H,27,32)/t17-,21?/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3


Bioorg Med Chem Lett 21: 1527-31 (2011)

More data for this
Ligand-Target Pair