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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50104950'   
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))
BDBM50104950
PNG
((2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-methanes...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H41N3O3S/c1-21-8-7-9-22(2)27(21)28(33)30-16-14-29(5,15-17-30)31-18-19-32(23(3)20-31)24(4)25-10-12-26(13-11-25)36(6,34)35/h7-13,23-24H,14-20H2,1-6H3/t23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50104950
PNG
((2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-methanes...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H41N3O3S/c1-21-8-7-9-22(2)27(21)28(33)30-16-14-29(5,15-17-30)31-18-19-32(23(3)20-31)24(4)25-10-12-26(13-11-25)36(6,34)35/h7-13,23-24H,14-20H2,1-6H3/t23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5


J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair