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BDBM50209999 1-(5-acetyl-4-methyl-thiazol-2-yl)-3-{(3S,4S)-4-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl}-urea::CHEMBL249057

SMILES: CC(=O)c1sc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C

InChI Key: InChIKey=IRBQOVMCXICGDZ-QKNQBKEWSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50209999   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50209999
PNG
(1-(5-acetyl-4-methyl-thiazol-2-yl)-3-{(3S,4S)-4-[(...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C24H31FN4O4S2/c1-15-22(16(2)30)34-24(26-15)28-23(31)27-21-14-35(32,33)13-19(21)12-29-9-3-4-18(11-29)10-17-5-7-20(25)8-6-17/h5-8,18-19,21H,3-4,9-14H2,1-2H3,(H2,26,27,28,31)/t18-,19+,21+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/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
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50209999
PNG
(1-(5-acetyl-4-methyl-thiazol-2-yl)-3-{(3S,4S)-4-[(...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C24H31FN4O4S2/c1-15-22(16(2)30)34-24(26-15)28-23(31)27-21-14-35(32,33)13-19(21)12-29-9-3-4-18(11-29)10-17-5-7-20(25)8-6-17/h5-8,18-19,21H,3-4,9-14H2,1-2H3,(H2,26,27,28,31)/t18-,19+,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209999
PNG
(1-(5-acetyl-4-methyl-thiazol-2-yl)-3-{(3S,4S)-4-[(...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C24H31FN4O4S2/c1-15-22(16(2)30)34-24(26-15)28-23(31)27-21-14-35(32,33)13-19(21)12-29-9-3-4-18(11-29)10-17-5-7-20(25)8-6-17/h5-8,18-19,21H,3-4,9-14H2,1-2H3,(H2,26,27,28,31)/t18-,19+,21+/m0/s1
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/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