BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM50379093'   
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 chemokine receptor type 4


(Homo sapiens (Human))
BDBM50379093
PNG
(CHEMBL2012531)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#6]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C137H217N43O31S2/c1-75(2)63-97(169-124(202)104(72-183)176-128(206)109(76(3)4)178-127(205)107-36-21-61-179(107)129(207)88(142)25-7-11-51-138)118(196)175-103(71-182)123(201)171-98(65-77-38-45-84(184)46-39-77)119(197)166-94(34-20-59-159-136(151)152)117(195)174-102(70-181)112(190)154-54-14-10-29-96(131(209)210)168-110(188)83-69-108(187)89(30-16-60-160-137(153)211)161-113(191)92(32-18-57-157-134(147)148)164-121(199)100(67-79-42-49-86(186)50-43-79)173-126(204)106-35-22-62-180(106)130(208)95(28-9-13-53-140)167-115(193)90(27-8-12-52-139)163-114(192)93(33-19-58-158-135(149)150)165-120(198)99(66-78-40-47-85(185)48-41-78)172-125(203)105(74-213-212-73-83)177-122(200)101(68-80-37-44-81-23-5-6-24-82(81)64-80)170-116(194)91(31-17-56-156-133(145)146)162-111(189)87(141)26-15-55-155-132(143)144/h5-6,23-24,37-50,64,75-76,83,87-107,109,181-186H,7-22,25-36,51-63,65-74,138-142H2,1-4H3,(H,154,190)(H,161,191)(H,162,189)(H,163,192)(H,164,199)(H,165,198)(H,166,197)(H,167,193)(H,168,188)(H,169,202)(H,170,194)(H,171,201)(H,172,203)(H,173,204)(H,174,195)(H,175,196)(H,176,206)(H,177,200)(H,178,205)(H,209,210)(H4,143,144,155)(H4,145,146,156)(H4,147,148,157)(H4,149,150,158)(H4,151,152,159)(H3,153,160,211)/t83-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,109-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting


ACS Med Chem Lett 2: 597-602 (2011)


Article DOI: 10.1021/ml200084n
BindingDB Entry DOI: 10.7270/Q2W096XP
More data for this
Ligand-Target Pair