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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Monomerid = 50104939   
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


(Mus musculus)
BDBM50104939
PNG
((4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-met...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50104939
PNG
((4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-met...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
54n/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))
BDBM50104939
PNG
((4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-met...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to C-C chemokine receptor type 5


J Med Chem 44: 3339-42 (2001)


Article DOI: 10.1021/jm015526o
BindingDB Entry DOI: 10.7270/Q27M0771
More data for this
Ligand-Target Pair