BindingDB logo
myBDB logout

BDBM179800 3-((2,6-dichloro-3-fluorophenyl)sulfide)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1Hpyrrolo[2,3-b]pyridine (8)

SMILES: Fc1ccc(Cl)c(c1Cl)S(=O)c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1

InChI Key: InChIKey=LEHQHFLLRYUONA-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 179800   
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
Tyrosine kinase receptor c-Met (c-Met)


(Homo sapiens (Human))
BDBM179800
PNG
(3-((2,6-dichloro-3-fluorophenyl)sulfide)-5-(1-(pip...)
Show SMILES Fc1ccc(Cl)c(c1Cl)S(=O)c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H18Cl2FN5OS/c22-16-1-2-17(24)19(23)20(16)31(30)18-10-27-21-15(18)7-12(8-26-21)13-9-28-29(11-13)14-3-5-25-6-4-14/h1-2,7-11,14,25H,3-6H2,(H,26,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/a7.025



Tianjin University of Science and Technology



Assay Description
The c-Met kinase activity of five target compounds and three positive compounds were evaluated using standard Z-LYTE Assays (fluorescence resonance e...


Bioorg Chem 65: 146-58 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.009
BindingDB Entry DOI: 10.7270/Q2VT1QVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM179800
PNG
(3-((2,6-dichloro-3-fluorophenyl)sulfide)-5-(1-(pip...)
Show SMILES Fc1ccc(Cl)c(c1Cl)S(=O)c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H18Cl2FN5OS/c22-16-1-2-17(24)19(23)20(16)31(30)18-10-27-21-15(18)7-12(8-26-21)13-9-28-29(11-13)14-3-5-25-6-4-14/h1-2,7-11,14,25H,3-6H2,(H,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 725n/an/an/an/a7.525



Tianjin University of Science and Technology



Assay Description
The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H...


Bioorg Chem 65: 146-58 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.009
BindingDB Entry DOI: 10.7270/Q2VT1QVX
More data for this
Ligand-Target Pair
Anaplastic lymphoma kinase C1156Y (ALK C1156Y)


(Homo sapiens (Human))
BDBM179800
PNG
(3-((2,6-dichloro-3-fluorophenyl)sulfide)-5-(1-(pip...)
Show SMILES Fc1ccc(Cl)c(c1Cl)S(=O)c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H18Cl2FN5OS/c22-16-1-2-17(24)19(23)20(16)31(30)18-10-27-21-15(18)7-12(8-26-21)13-9-28-29(11-13)14-3-5-25-6-4-14/h1-2,7-11,14,25H,3-6H2,(H,26,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.31E+3n/an/an/an/a7.525



Tianjin University of Science and Technology



Assay Description
The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H...


Bioorg Chem 65: 146-58 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.009
BindingDB Entry DOI: 10.7270/Q2VT1QVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179800
PNG
(3-((2,6-dichloro-3-fluorophenyl)sulfide)-5-(1-(pip...)
Show SMILES Fc1ccc(Cl)c(c1Cl)S(=O)c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H18Cl2FN5OS/c22-16-1-2-17(24)19(23)20(16)31(30)18-10-27-21-15(18)7-12(8-26-21)13-9-28-29(11-13)14-3-5-25-6-4-14/h1-2,7-11,14,25H,3-6H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 214n/an/an/an/a7.525



Tianjin University of Science and Technology



Assay Description
The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H...


Bioorg Chem 65: 146-58 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.009
BindingDB Entry DOI: 10.7270/Q2VT1QVX
More data for this
Ligand-Target Pair