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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50209974'   
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 3


(Homo sapiens (Human))
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0680n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells after 30 mins


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 in human eosinophils assessed as eotaxin-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Mus musculus)
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from BALB/c mouse CCR3 expressed in CHO cells after 30 mins


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Mus musculus)
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in BALB/c mouse eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
More data for this
Ligand-Target Pair