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BDBM50248546 (S)-3-(4-(3,3-dimethylbutan-2-ylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL464302

SMILES: C[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C

InChI Key: InChIKey=YADKUHZCQOQZFM-JTQLQIEISA-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 = 50248546   
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 receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248546
PNG
((S)-3-(4-(3,3-dimethylbutan-2-ylamino)-1,2,5-thiad...)
Show SMILES C[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C |r|
Show InChI InChI=1S/C17H25N5O2S/c1-10(17(2,3)4)18-14-15(21-25-20-14)19-12-9-7-8-11(13(12)23)16(24)22(5)6/h7-10,23H,1-6H3,(H,18,20)(H,19,21)/t10-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
43n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50248546
PNG
((S)-3-(4-(3,3-dimethylbutan-2-ylamino)-1,2,5-thiad...)
Show SMILES C[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C |r|
Show InChI InChI=1S/C17H25N5O2S/c1-10(17(2,3)4)18-14-15(21-25-20-14)19-12-9-7-8-11(13(12)23)16(24)22(5)6/h7-10,23H,1-6H3,(H,18,20)(H,19,21)/t10-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR2 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair