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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50334974'   
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-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50334974
PNG
(CHEMBL1649927 | endo-methyl 3-(8-((S)-3-(3-fluorop...)
Show SMILES COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)C(=O)OC)c1cccc(F)c1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H36FN5O4/c1-17-29-24-9-11-31(27(35)37-3)16-25(24)33(17)22-14-20-7-8-21(15-22)32(20)12-10-23(30-26(34)36-2)18-5-4-6-19(28)13-18/h4-6,13,20-23H,7-12,14-16H2,1-3H3,(H,30,34)/t20-,21+,22+,23-/m0/s1
PDB

KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-ta...

J Med Chem 54: 67-77 (2011)


Article DOI: 10.1021/jm100978n
BindingDB Entry DOI: 10.7270/Q2RV0PNV
More data for this
Ligand-Target Pair