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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 = 'BDBM50412739'   
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))
BDBM50412739
PNG
(CHEMBL503033)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412739
PNG
(CHEMBL503033)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair