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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50013483   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00511-0
BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00511-0
BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00511-0
BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00511-0
BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair