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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 = 'BDBM50394596'   
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))		BDBM50394596
PNG
(CHEMBL2164202)
Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CN1CCOC1=O |r|
Show InChI InChI=1S/C27H36ClN5O4S/c1-18-14-23(28)30-20(3)25(18)26(35)29-8-4-19(2)31-9-5-22(6-10-31)33(15-21-7-13-38-17-21)24(34)16-32-11-12-37-27(32)36/h7,13-14,17,19,22H,4-6,8-12,15-16H2,1-3H3,(H,29,35)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...

ACS Med Chem Lett 3: 216-221 (2012)


Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M
More data for this
Ligand-Target Pair