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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 599.5
BDBM50124962

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50124962
PNG
(CHEMBL140201 | N-[5-(4-{(4-Bromo-phenyl)-[(E)-etho...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NC(C)=O)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H39BrN6O3/c1-6-39-34-26(22-7-9-24(30)10-8-22)23-11-15-36(16-12-23)29(5)13-17-35(18-14-29)27(38)25-19(2)31-28(32-20(25)3)33-21(4)37/h7-10,23H,6,11-18H2,1-5H3,(H,31,32,33,37)/b34-26-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
60n/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))
BDBM50124962
PNG
(CHEMBL140201 | N-[5-(4-{(4-Bromo-phenyl)-[(E)-etho...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NC(C)=O)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H39BrN6O3/c1-6-39-34-26(22-7-9-24(30)10-8-22)23-11-15-36(16-12-23)29(5)13-17-35(18-14-29)27(38)25-19(2)31-28(32-20(25)3)33-21(4)37/h7-10,23H,6,11-18H2,1-5H3,(H,31,32,33,37)/b34-26-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair