new BindingDB logo
myBDB logout

BDBM50226998 3-[1,1-dioxo-4-((R)-1-phenyl-propylamino)-1H-1lambda6-[1,2,5]thiadiazol-3-ylamino]-2-hydroxy-N,N-dimethyl-benzamide::CHEMBL252288

SMILES: CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1

InChI Key: InChIKey=ZMNXZNXBUAETLC-OAHLLOKOSA-N

Data: 1 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 1 hit for monomerid = 50226998   
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 1


(Homo sapiens (Human))
BDBM50226998
PNG
(3-[1,1-dioxo-4-((R)-1-phenyl-propylamino)-1H-1lamb...)
Show SMILES CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 |w:11.12,t:4|
Show InChI InChI=1S/C20H23N5O4S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-30(28,29)23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-/m1/s1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
8.99E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair