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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C motif chemokine 2' and Ligand = 'BDBM50017347'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C motif chemokine 2


(Homo sapiens (Human))
BDBM50017347
PNG
(CHEMBL3288259)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]2([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]3([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]4([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]5([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OCCCCCN)O[C@@H]5CO)O[C@H]4C([O-])=O)O[C@@H]3CO)O[C@H]2C([O-])=O)O[C@@H]1CO |r|
Show InChI InChI=1S/C41H70N4O49S6.9Na/c42-4-2-1-3-5-80-36-12(43-95(62,63)64)15(49)22(9(6-46)81-36)85-40-29(93-99(74,75)76)20(54)25(31(90-40)34(58)59)88-38-14(45-97(68,69)70)17(51)24(11(8-48)83-38)86-41-30(94-100(77,78)79)21(55)26(32(91-41)35(60)61)87-37-13(44-96(65,66)67)16(50)23(10(7-47)82-37)84-39-28(92-98(71,72)73)19(53)18(52)27(89-39)33(56)57;;;;;;;;;/h9-32,36-41,43-55H,1-8,42H2,(H,56,57)(H,58,59)(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;;;;/q;9*+1/p-9/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30-,31-,32-,36+,37-,38-,39-,40-,41-;;;;;;;;;/m1........./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.50E+8n/an/an/an/an/a



Momenta Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CXCL2 by surface plasmon resonance assay


J Med Chem 57: 4511-20 (2014)


Article DOI: 10.1021/jm4016069
More data for this
Ligand-Target Pair