Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM340075'   

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))	BDBM340075 ((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r| Show InChI InChI=1S/C27H23ClN10O2/c28-26-31-12-9-18(34-26)25(40)37-14-2-1-4-19(37)23-35-20(21-22(29)30-13-15-38(21)23)16-5-7-17(8-6-16)24(39)36-27-32-10-3-11-33-27/h3,5-13,15,19H,1-2,4,14H2,(H2,29,30)(H,32,33,36,39)/t19-/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))	BDBM340075 ((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r| Show InChI InChI=1S/C27H23ClN10O2/c28-26-31-12-9-18(34-26)25(40)37-14-2-1-4-19(37)23-35-20(21-22(29)30-13-15-38(21)23)16-5-7-17(8-6-16)24(39)36-27-32-10-3-11-33-27/h3,5-13,15,19H,1-2,4,14H2,(H2,29,30)(H,32,33,36,39)/t19-/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))	BDBM340075 ((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r| Show InChI InChI=1S/C27H23ClN10O2/c28-26-31-12-9-18(34-26)25(40)37-14-2-1-4-19(37)23-35-20(21-22(29)30-13-15-38(21)23)16-5-7-17(8-6-16)24(39)36-27-32-10-3-11-33-27/h3,5-13,15,19H,1-2,4,14H2,(H2,29,30)(H,32,33,36,39)/t19-/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