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BDBM50412557 CHEMBL464244

SMILES: C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C

InChI Key: InChIKey=RKXIJUWHKCDKAC-MRUHUIDDSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50412557   
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


(Mus musculus)
BDBM50412557
PNG
(CHEMBL464244)
Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C
Show InChI InChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells


Bioorg Med Chem Lett 19: 114-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.008
BindingDB Entry DOI: 10.7270/Q29Z94R0
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50412557
PNG
(CHEMBL464244)
Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C
Show InChI InChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 19: 114-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.008
BindingDB Entry DOI: 10.7270/Q29Z94R0
More data for this
Ligand-Target Pair