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PubMed code 20207141

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50314723
PNG
(CHEMBL1090041 | endo-(S)-N-(4-fluorobenzyl)-4-(3-(...)
Show SMILES Cc1nc2cccnc2n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C31H34FN5O/c1-21-35-29-8-5-16-33-30(29)37(21)27-18-25-13-14-26(19-27)36(25)17-15-28(23-6-3-2-4-7-23)31(38)34-20-22-9-11-24(32)12-10-22/h2-12,16,25-28H,13-15,17-20H2,1H3,(H,34,38)/t25-,26-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 14.4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS binding


Bioorg Med Chem Lett 20: 2219-23 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.023
BindingDB Entry DOI: 10.7270/Q2C53M0B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50314722
PNG
(CHEMBL1093331 | endo-(S)-methyl 4-(3-(2-methyl-3H-...)
Show SMILES COC(=O)[C@@H](CCN1[C@@H]2CC[C@@H]1CC(C2)n1c(C)nc2cccnc12)c1ccccc1 |r,THB:15:13:7:9.10|
Show InChI InChI=1S/C25H30N4O2/c1-17-27-23-9-6-13-26-24(23)29(17)21-15-19-10-11-20(16-21)28(19)14-12-22(25(30)31-2)18-7-4-3-5-8-18/h3-9,13,19-22H,10-12,14-16H2,1-2H3/t19-,20-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS binding


Bioorg Med Chem Lett 20: 2219-23 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.023
BindingDB Entry DOI: 10.7270/Q2C53M0B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%