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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50209993   
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))		BDBM50209993
PNG
(1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CCNC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(s2)C(C)=O)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)C1
Show InChI InChI=1S/C28H39FN6O3S/c1-4-30-28(38)35-13-11-24(32-26(37)33-27-31-18(2)25(39-27)19(3)36)22(17-35)16-34-12-5-6-21(15-34)14-20-7-9-23(29)10-8-20/h7-10,21-22,24H,4-6,11-17H2,1-3H3,(H,30,38)(H2,31,32,33,37)/t21-,22+,24+/m0/s1
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n/an/a 1.5n/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
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50209993
PNG
(1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CCNC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(s2)C(C)=O)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)C1
Show InChI InChI=1S/C28H39FN6O3S/c1-4-30-28(38)35-13-11-24(32-26(37)33-27-31-18(2)25(39-27)19(3)36)22(17-35)16-34-12-5-6-21(15-34)14-20-7-9-23(29)10-8-20/h7-10,21-22,24H,4-6,11-17H2,1-3H3,(H,30,38)(H2,31,32,33,37)/t21-,22+,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6

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


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair