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BDBM50301335 5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide::CHEMBL568676

SMILES: Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(cc2)C#N)CC1)C(=O)NCCOc1ccccc1

InChI Key: InChIKey=GKLLWSLEDQZNPB-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50301335   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50301335
PNG
(5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)pip...)
Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(cc2)C#N)CC1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C31H35ClN6O2/c32-29-20-26(31(39)34-12-19-40-28-4-2-1-3-5-28)22-35-30(29)38-17-15-37(16-18-38)27-10-13-36(14-11-27)23-25-8-6-24(21-33)7-9-25/h1-9,20,22,27H,10-19,23H2,(H,34,39)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
110n/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)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50301335
PNG
(5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)pip...)
Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(cc2)C#N)CC1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C31H35ClN6O2/c32-29-20-26(31(39)34-12-19-40-28-4-2-1-3-5-28)22-35-30(29)38-17-15-37(16-18-38)27-10-13-36(14-11-27)23-25-8-6-24(21-33)7-9-25/h1-9,20,22,27H,10-19,23H2,(H,34,39)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CXCR3 receptor expressed in Ba/F3 cells assessed as hIP10-induced chemotaxis


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


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50301335
PNG
(5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)pip...)
Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(cc2)C#N)CC1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C31H35ClN6O2/c32-29-20-26(31(39)34-12-19-40-28-4-2-1-3-5-28)22-35-30(29)38-17-15-37(16-18-38)27-10-13-36(14-11-27)23-25-8-6-24(21-33)7-9-25/h1-9,20,22,27H,10-19,23H2,(H,34,39)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CXCR3 receptor expressed in Ba/F3 cells assessed as hI-TAC-induced chemotaxis


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


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50301335
PNG
(5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)pip...)
Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(cc2)C#N)CC1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C31H35ClN6O2/c32-29-20-26(31(39)34-12-19-40-28-4-2-1-3-5-28)22-35-30(29)38-17-15-37(16-18-38)27-10-13-36(14-11-27)23-25-8-6-24(21-33)7-9-25/h1-9,20,22,27H,10-19,23H2,(H,34,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CXCR3 receptor expressed in Ba/F3 cells assessed as hMIG-induced chemotaxis


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


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair