Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50010723   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097971 (CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097974 (2-((2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-26-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097967 (3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1 Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097958 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(19)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097959 (7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-...) Show SMILES COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-27-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair