Compile Data Set for Download or QSAR

Found 793 hits with Last Name = 'friedman' and Initial = 'mm'   

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))	BDBM8798 (CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...) Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8798 (CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...) Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8807 (CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8798 (CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...) Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8798 (CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...) Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8793 (7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...) Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8806 ((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...) Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50145570 (1H-Indole-2-carboxylic acid (4-{4-amino-1-[4-(4-me...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:23.25,wD:26.32,(1.45,-1.92,;1.52,-3.48,;2.9,-4.2,;2.97,-5.74,;4.32,-6.46,;5.63,-5.64,;5.57,-4.09,;4.21,-3.37,;4.2,-1.83,;5.51,-1.03,;6.86,-1.8,;5.49,.51,;6.63,1.55,;5.98,2.93,;6.61,4.35,;5.7,5.59,;4.18,5.43,;3.55,4.03,;4.46,2.77,;4.16,1.25,;4.39,-8,;5.62,-8.89,;5.14,-10.36,;6.09,-11.55,;7.63,-11.32,;8.58,-12.52,;8.02,-13.95,;6.49,-14.19,;5.53,-12.99,;8.99,-15.14,;10.5,-14.91,;11.47,-16.1,;10.91,-17.54,;11.88,-18.76,;9.38,-17.78,;8.43,-16.58,;3.61,-10.36,;2.57,-11.5,;1.08,-11.17,;.61,-9.71,;1.64,-8.57,;1.17,-7.1,;3.13,-8.89,)| Show InChI InChI=1S/C32H37N9O2/c1-39-13-15-40(16-14-39)22-8-10-23(11-9-22)41-31-28(30(33)34-19-35-31)29(38-41)21-7-12-25(27(18-21)43-2)37-32(42)26-17-20-5-3-4-6-24(20)36-26/h3-7,12,17-19,22-23,36H,8-11,13-16H2,1-2H3,(H,37,42)(H2,33,34,35)/t22-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8807 (CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8806 ((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...) Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8803 (CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...) Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8803 (CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...) Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8805 (N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;.72,9.1,;2.25,10.43,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C34H44N8O2/c1-34(2,24-8-6-5-7-9-24)21-29(43)38-27-15-10-23(20-28(27)44-4)31-30-32(35)36-22-37-33(30)42(39-31)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8794 (1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phen...) Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H33N7O/c1-33-15-17-34(18-16-33)21-9-11-22(12-10-21)35-28-25(27(29)30-19-31-28)26(32-35)20-7-13-24(14-8-20)36-23-5-3-2-4-6-23/h2-8,13-14,19,21-22H,9-12,15-18H2,1H3,(H2,29,30,31)/t21-,22-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50145571 (1-Methyl-1H-indole-2-carboxylic acid (4-{4-amino-1...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:24.26,wD:27.33,(1.55,-1.69,;1.62,-3.24,;3.01,-3.96,;3.06,-5.49,;4.43,-6.21,;5.72,-5.39,;5.67,-3.86,;4.32,-3.13,;4.3,-1.59,;5.62,-.8,;6.97,-1.55,;5.6,.74,;6.72,1.79,;6.09,3.17,;6.72,4.59,;5.81,5.83,;4.29,5.68,;3.66,4.26,;4.56,3.01,;4.25,1.49,;2.85,.85,;4.49,-7.75,;5.72,-8.66,;5.25,-10.12,;6.2,-11.32,;7.73,-11.09,;8.68,-12.27,;8.12,-13.71,;6.6,-13.95,;5.63,-12.74,;9.08,-14.91,;10.61,-14.67,;11.57,-15.87,;11.02,-17.3,;11.97,-18.52,;9.49,-17.54,;8.52,-16.33,;3.72,-10.12,;2.68,-11.25,;1.19,-10.92,;.71,-9.48,;1.73,-8.33,;1.27,-6.86,;3.24,-8.66,)| Show InChI InChI=1S/C33H39N9O2/c1-39-14-16-41(17-15-39)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(38-42)22-8-13-25(28(19-22)44-3)37-33(43)27-18-21-6-4-5-7-26(21)40(27)2/h4-8,13,18-20,23-24H,9-12,14-17H2,1-3H3,(H,37,43)(H2,34,35,36)/t23-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8795 (1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(phe...) Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H34N8/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-28-25(27(29)30-19-31-28)26(33-36)20-7-9-22(10-8-20)32-21-5-3-2-4-6-21/h2-10,19,23-24,32H,11-18H2,1H3,(H2,29,30,31)/t23-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8794 (1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phen...) Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H33N7O/c1-33-15-17-34(18-16-33)21-9-11-22(12-10-21)35-28-25(27(29)30-19-31-28)26(32-35)20-7-13-24(14-8-20)36-23-5-3-2-4-6-23/h2-8,13-14,19,21-22H,9-12,15-18H2,1H3,(H2,29,30,31)/t21-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8793 (7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...) Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8807 (CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8808 (3-{4-[(1H-indol-2-ylmethyl)amino]phenyl}-1-[4-(4-m...) Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C31H37N9/c1-38-14-16-39(17-15-38)25-10-12-26(13-11-25)40-31-28(30(32)34-20-35-31)29(37-40)21-6-8-23(9-7-21)33-19-24-18-22-4-2-3-5-27(22)36-24/h2-9,18,20,25-26,33,36H,10-17,19H2,1H3,(H2,32,34,35)/t25-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8802 (3-[4-(benzylamino)-3-methoxyphenyl]-1-[4-(4-methyl...) Show SMILES COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C30H38N8O/c1-36-14-16-37(17-15-36)23-9-11-24(12-10-23)38-30-27(29(31)33-20-34-30)28(35-38)22-8-13-25(26(18-22)39-2)32-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24,32H,9-12,14-17,19H2,1-2H3,(H2,31,33,34)/t23-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145570 (1H-Indole-2-carboxylic acid (4-{4-amino-1-[4-(4-me...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:23.25,wD:26.32,(1.45,-1.92,;1.52,-3.48,;2.9,-4.2,;2.97,-5.74,;4.32,-6.46,;5.63,-5.64,;5.57,-4.09,;4.21,-3.37,;4.2,-1.83,;5.51,-1.03,;6.86,-1.8,;5.49,.51,;6.63,1.55,;5.98,2.93,;6.61,4.35,;5.7,5.59,;4.18,5.43,;3.55,4.03,;4.46,2.77,;4.16,1.25,;4.39,-8,;5.62,-8.89,;5.14,-10.36,;6.09,-11.55,;7.63,-11.32,;8.58,-12.52,;8.02,-13.95,;6.49,-14.19,;5.53,-12.99,;8.99,-15.14,;10.5,-14.91,;11.47,-16.1,;10.91,-17.54,;11.88,-18.76,;9.38,-17.78,;8.43,-16.58,;3.61,-10.36,;2.57,-11.5,;1.08,-11.17,;.61,-9.71,;1.64,-8.57,;1.17,-7.1,;3.13,-8.89,)| Show InChI InChI=1S/C32H37N9O2/c1-39-13-15-40(16-14-39)22-8-10-23(11-9-22)41-31-28(30(33)34-19-35-31)29(38-41)21-7-12-25(27(18-21)43-2)37-32(42)26-17-20-5-3-4-6-24(20)36-26/h3-7,12,17-19,22-23,36H,8-11,13-16H2,1-2H3,(H,37,42)(H2,33,34,35)/t22-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8807 (CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50145572 (3-{4-[(Furan-2-ylmethyl)-amino]-3-methoxy-phenyl}-...) Show SMILES COc1cc(ccc1NCc1ccco1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:18.19,wD:21.26,(1.27,4.51,;1.34,2.96,;2.73,2.24,;2.78,.71,;4.15,-.01,;5.44,.81,;5.39,2.35,;4.04,3.08,;4.02,4.61,;5.34,5.4,;6.69,4.65,;8.02,5.45,;9.17,4.42,;8.56,3.02,;7.04,3.15,;4.2,-1.55,;5.44,-2.46,;4.96,-3.92,;5.92,-5.11,;7.44,-4.88,;8.4,-6.07,;7.84,-7.5,;6.32,-7.75,;5.35,-6.53,;8.79,-8.7,;8.24,-10.12,;9.21,-11.33,;10.73,-11.09,;11.68,-12.31,;11.29,-9.66,;10.33,-8.46,;3.43,-3.92,;2.4,-5.04,;.91,-4.72,;.43,-3.27,;1.45,-2.13,;.99,-.65,;2.96,-2.46,)| Show InChI InChI=1S/C28H36N8O2/c1-34-11-13-35(14-12-34)20-6-8-21(9-7-20)36-28-25(27(29)31-18-32-28)26(33-36)19-5-10-23(24(16-19)37-2)30-17-22-4-3-15-38-22/h3-5,10,15-16,18,20-21,30H,6-9,11-14,17H2,1-2H3,(H2,29,31,32)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8795 (1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(phe...) Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H34N8/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-28-25(27(29)30-19-31-28)26(33-36)20-7-9-22(10-8-20)32-21-5-3-2-4-6-21/h2-10,19,23-24,32H,11-18H2,1H3,(H2,29,30,31)/t23-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM8802 (3-[4-(benzylamino)-3-methoxyphenyl]-1-[4-(4-methyl...) Show SMILES COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C30H38N8O/c1-36-14-16-37(17-15-36)23-9-11-24(12-10-23)38-30-27(29(31)33-20-34-30)28(35-38)22-8-13-25(26(18-22)39-2)32-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24,32H,9-12,14-17,19H2,1-2H3,(H2,31,33,34)/t23-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145571 (1-Methyl-1H-indole-2-carboxylic acid (4-{4-amino-1...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:24.26,wD:27.33,(1.55,-1.69,;1.62,-3.24,;3.01,-3.96,;3.06,-5.49,;4.43,-6.21,;5.72,-5.39,;5.67,-3.86,;4.32,-3.13,;4.3,-1.59,;5.62,-.8,;6.97,-1.55,;5.6,.74,;6.72,1.79,;6.09,3.17,;6.72,4.59,;5.81,5.83,;4.29,5.68,;3.66,4.26,;4.56,3.01,;4.25,1.49,;2.85,.85,;4.49,-7.75,;5.72,-8.66,;5.25,-10.12,;6.2,-11.32,;7.73,-11.09,;8.68,-12.27,;8.12,-13.71,;6.6,-13.95,;5.63,-12.74,;9.08,-14.91,;10.61,-14.67,;11.57,-15.87,;11.02,-17.3,;11.97,-18.52,;9.49,-17.54,;8.52,-16.33,;3.72,-10.12,;2.68,-11.25,;1.19,-10.92,;.71,-9.48,;1.73,-8.33,;1.27,-6.86,;3.24,-8.66,)| Show InChI InChI=1S/C33H39N9O2/c1-39-14-16-41(17-15-39)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(38-42)22-8-13-25(28(19-22)44-3)37-33(43)27-18-21-6-4-5-7-26(21)40(27)2/h4-8,13,18-20,23-24H,9-12,14-17H2,1-3H3,(H,37,43)(H2,34,35,36)/t23-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8804 (N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...) Show SMILES COc1cc(ccc1NC(=O)C(C)(C)Cc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.88,11.31,;-.38,11.74,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C34H44N8O2/c1-34(2,21-23-8-6-5-7-9-23)33(43)38-27-15-10-24(20-28(27)44-4)30-29-31(35)36-22-37-32(29)42(39-30)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8797 (CHEMBL297363 | N-(4-{4-amino-1-[4-(4-methylpiperaz...) Show SMILES COc1cc(ccc1NC(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:20.21,wD:23.28,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.86,11.33,;-1.46,12.82,;.02,13.22,;1.12,12.14,;.72,10.65,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C30H36N8O2/c1-36-14-16-37(17-15-36)22-9-11-23(12-10-22)38-29-26(28(31)32-19-33-29)27(35-38)21-8-13-24(25(18-21)40-2)34-30(39)20-6-4-3-5-7-20/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H,34,39)(H2,31,32,33)/t22-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM8797 (CHEMBL297363 | N-(4-{4-amino-1-[4-(4-methylpiperaz...) Show SMILES COc1cc(ccc1NC(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:20.21,wD:23.28,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.86,11.33,;-1.46,12.82,;.02,13.22,;1.12,12.14,;.72,10.65,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)| Show InChI InChI=1S/C30H36N8O2/c1-36-14-16-37(17-15-36)22-9-11-23(12-10-22)38-29-26(28(31)32-19-33-29)27(35-38)21-8-13-24(25(18-21)40-2)34-30(39)20-6-4-3-5-7-20/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H,34,39)(H2,31,32,33)/t22-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	7.4	22
Abbott Bioresearch Center					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...				Bioorg Med Chem Lett 12: 1687-90 (2002) Article DOI: 10.1016/s0960-894x(02)00196-8 BindingDB Entry DOI: 10.7270/Q2154F84
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145572 (3-{4-[(Furan-2-ylmethyl)-amino]-3-methoxy-phenyl}-...) Show SMILES COc1cc(ccc1NCc1ccco1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:18.19,wD:21.26,(1.27,4.51,;1.34,2.96,;2.73,2.24,;2.78,.71,;4.15,-.01,;5.44,.81,;5.39,2.35,;4.04,3.08,;4.02,4.61,;5.34,5.4,;6.69,4.65,;8.02,5.45,;9.17,4.42,;8.56,3.02,;7.04,3.15,;4.2,-1.55,;5.44,-2.46,;4.96,-3.92,;5.92,-5.11,;7.44,-4.88,;8.4,-6.07,;7.84,-7.5,;6.32,-7.75,;5.35,-6.53,;8.79,-8.7,;8.24,-10.12,;9.21,-11.33,;10.73,-11.09,;11.68,-12.31,;11.29,-9.66,;10.33,-8.46,;3.43,-3.92,;2.4,-5.04,;.91,-4.72,;.43,-3.27,;1.45,-2.13,;.99,-.65,;2.96,-2.46,)| Show InChI InChI=1S/C28H36N8O2/c1-34-11-13-35(14-12-34)20-6-8-21(9-7-20)36-28-25(27(29)31-18-32-28)26(33-36)19-5-10-23(24(16-19)37-2)30-17-22-4-3-15-38-22/h3-5,10,15-16,18,20-21,30H,6-9,11-14,17H2,1-2H3,(H2,29,31,32)/t20-,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287470 (US9567339, Example K.1.1) Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(C[C@H](O)CO)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287471 (US9567339, Example M.1.1) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(c1CO)-n1cnc2ccc(F)cc2c1=O Show InChI InChI=1S/C28H21FN6O3/c1-34-12-15(11-32-34)24-10-20-18(6-7-19(27(30)37)26(20)33-24)17-3-2-4-25(22(17)13-36)35-14-31-23-8-5-16(29)9-21(23)28(35)38/h2-12,14,33,36H,13H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287472 (US9567339, Example M.1.2) Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(CCO)c1 Show InChI InChI=1S/C29H24N6O3/c1-17-19(6-4-8-26(17)35-16-31-24-7-3-2-5-21(24)29(35)38)20-9-10-22(28(30)37)27-23(20)13-25(33-27)18-14-32-34(15-18)11-12-36/h2-10,13-16,33,36H,11-12H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287475 (US9567339, Example O.1.3*) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)N1CCn2ccnc2C1=O |r,c:7| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287476 (US9567339, Example O.1.4*) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)n1ccn2ccnc2c1=O |r,c:7| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287477 (US9567339, Example O.1.5*) Show SMILES Cc1nc(co1)C(=O)NC1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:31| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287489 (US9567339, Example O.1.19*) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)C(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287495 (US9567339, Example O.1.25*) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287496 (US9567339, Example O.1.26) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287500 (US9567339, Example U.1.2) Show SMILES Cc1ccc(cc1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1nccs1 Show InChI InChI=1S/C19H15N3OS/c1-11-2-4-12(5-3-11)16-10-15-13(19-21-8-9-24-19)6-7-14(18(20)23)17(15)22-16/h2-10,22H,1H3,(H2,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287503 (US9567339, Example 5.2) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)[C@H]1CCOC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287506 (US9567339, Example 4.1) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287507 (US9567339, Example 4.2) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)[C@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287151 (US9567339, Example A.1.2) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccnn1C1CCCCO1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287153 (US9567339, Example A.1.4) Show SMILES CC(C)n1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C25H25N5O2/c1-5-23(31)28-21-8-6-7-17(15(21)4)18-9-10-19(25(26)32)24-20(18)11-22(29-24)16-12-27-30(13-16)14(2)3/h5-14,29H,1H2,2-4H3,(H2,26,32)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287154 (US9567339, Example A.1.5) Show SMILES Cc1nn(C)cc1-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C24H23N5O2/c1-5-22(30)26-20-8-6-7-15(13(20)2)16-9-10-17(24(25)31)23-18(16)11-21(27-23)19-12-29(4)28-14(19)3/h5-12,27H,1H2,2-4H3,(H2,25,31)(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287155 (US9567339, Example A.1.6) Show SMILES CCn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C24H23N5O2/c1-4-22(30)27-20-8-6-7-16(14(20)3)17-9-10-18(24(25)31)23-19(17)11-21(28-23)15-12-26-29(5-2)13-15/h4,6-13,28H,1,5H2,2-3H3,(H2,25,31)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287156 (US9567339, Example A.1.7) Show SMILES CC(C)Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C26H27N5O2/c1-5-24(32)29-22-8-6-7-18(16(22)4)19-9-10-20(26(27)33)25-21(19)11-23(30-25)17-12-28-31(14-17)13-15(2)3/h5-12,14-15,30H,1,13H2,2-4H3,(H2,27,33)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287157 (US9567339, Example A.1.8) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C28H30N6O3/c1-3-26(35)31-24-6-4-5-20(18(24)2)21-7-8-22(28(29)36)27-23(21)15-25(32-27)19-16-30-34(17-19)10-9-33-11-13-37-14-12-33/h3-8,15-17,32H,1,9-14H2,2H3,(H2,29,36)(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair

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