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SMILES: CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccsc1)=CC2

InChI Key: InChIKey=HWFPIUQIMQHDNJ-VXKWHMMOSA-N

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 = 50400912   
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


(Homo sapiens (Human))
BDBM50400912
PNG
(CHEMBL2205058)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccsc1)=CC2 |r,c:25,THB:7:6:4:1|
Show InChI InChI=1S/C23H30NS/c1-23(2)21-10-9-19(22(23)13-21)15-24(3,4)14-17-5-7-18(8-6-17)20-11-12-25-16-20/h5-9,11-12,16,21-22H,10,13-15H2,1-4H3/q+1/t21-,22-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50400912
PNG
(CHEMBL2205058)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccsc1)=CC2 |r,c:25,THB:7:6:4:1|
Show InChI InChI=1S/C23H30NS/c1-23(2)21-10-9-19(22(23)13-21)15-24(3,4)14-17-5-7-18(8-6-17)20-11-12-25-16-20/h5-9,11-12,16,21-22H,10,13-15H2,1-4H3/q+1/t21-,22-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL11 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair