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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50118656'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50118656
PNG
(CHEMBL430902 | CM-DOPA-EEIE)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(O)c(O)c1)NOC(=O)Cc1ccc(O)c2cc(O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C42H51N5O18/c1-3-20(2)37(41(62)45-28(42(63)64)10-15-35(56)57)46-39(60)27(9-14-34(54)55)43-38(59)26(8-13-33(52)53)44-40(61)29(16-21-4-11-31(50)32(51)17-21)47-65-36(58)18-22-5-12-30(49)25-19-23(48)6-7-24(22)25/h4-7,11-12,17,19-20,26-29,37,47-51H,3,8-10,13-16,18H2,1-2H3,(H,43,59)(H,44,61)(H,45,62)(H,46,60)(H,52,53)(H,54,55)(H,56,57)(H,63,64)/t20-,26-,27-,28-,29?,37-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST-Lck-SH2 domain in ELISA

Bioorg Med Chem Lett 12: 2711-4 (2002)


BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair