Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM8797' 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)) | 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 | |