BindingDB logo
myBDB logout

BDBM50432436 CHEMBL2349325

SMILES: CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2C)nc2nc(N)sc12

InChI Key: InChIKey=GKQBTCUQPKTXTC-CQSZACIVSA-N

Data: 2 KI

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 = 50432436   
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-X3-C chemokine receptor 1


(Homo sapiens (Human))
BDBM50432436
PNG
(CHEMBL2349325)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2C)nc2nc(N)sc12 |r|
Show InChI InChI=1S/C19H25N5OS2/c1-11(2)8-14(9-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-10-13-7-5-4-6-12(13)3/h4-7,11,14,25H,8-10H2,1-3H3,(H3,20,21,22,23,24)/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50432436
PNG
(CHEMBL2349325)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2C)nc2nc(N)sc12 |r|
Show InChI InChI=1S/C19H25N5OS2/c1-11(2)8-14(9-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-10-13-7-5-4-6-12(13)3/h4-7,11,14,25H,8-10H2,1-3H3,(H3,20,21,22,23,24)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis


J Med Chem 56: 3177-90 (2013)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair