Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM340099'   

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))	BDBM340099 ((S,E)-4-(8-amino-3-(1-(4- (dimethylamino)but-2- en...) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H31N9O2/c1-35(2)16-6-9-23(38)36-17-4-3-7-21(36)27-33-24(25-26(29)30-15-18-37(25)27)19-10-12-20(13-11-19)28(39)32-22-8-5-14-31-34-22/h5-6,8-15,18,21H,3-4,7,16-17H2,1-2H3,(H2,29,30)(H,32,34,39)/b9-6+/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Lck enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM340099 ((S,E)-4-(8-amino-3-(1-(4- (dimethylamino)but-2- en...) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H31N9O2/c1-35(2)16-6-9-23(38)36-17-4-3-7-21(36)27-33-24(25-26(29)30-15-18-37(25)27)19-10-12-20(13-11-19)28(39)32-22-8-5-14-31-34-22/h5-6,8-15,18,21H,3-4,7,16-17H2,1-2H3,(H2,29,30)(H,32,34,39)/b9-6+/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Lck enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...				US Patent US10934296 (2021) BindingDB Entry DOI: 10.7270/Q27947T2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM340099 ((S,E)-4-(8-amino-3-(1-(4- (dimethylamino)but-2- en...) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H31N9O2/c1-35(2)16-6-9-23(38)36-17-4-3-7-21(36)27-33-24(25-26(29)30-15-18-37(25)27)19-10-12-20(13-11-19)28(39)32-22-8-5-14-31-34-22/h5-6,8-15,18,21H,3-4,7,16-17H2,1-2H3,(H2,29,30)(H,32,34,39)/b9-6+/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...				J Med Chem 48: 6169-73 (2005) BindingDB Entry DOI: 10.7270/Q20R9RQ4
					More data for this Ligand-Target Pair