Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'SHC-transforming protein 1' and Ligand = 'BDBM50276325'   

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
SHC-transforming protein 1 (Homo sapiens (Human))	BDBM50276325 (CHEMBL501747 | trans-4-((2S,5S,11S,14S)-1-amino-11...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)CC1)C(=O)N[C@@H](CO)C(N)=O |r,wU:40.41,4.4,12.17,wD:21.34,75.80,37.37,(19.49,1.09,;20.82,.33,;22.16,1.09,;20.83,-1.22,;22.16,-1.99,;22.17,-3.53,;20.84,-4.3,;19.51,-3.54,;20.85,-5.83,;19.52,-6.61,;19.53,-8.15,;20.87,-8.91,;18.2,-8.92,;16.86,-8.15,;16.85,-6.61,;15.52,-5.85,;14.19,-6.62,;15.51,-4.31,;18.2,-10.46,;16.87,-11.23,;15.53,-10.47,;16.87,-12.77,;18.21,-13.54,;19.54,-12.76,;20.87,-13.54,;22.21,-12.75,;22.2,-11.21,;23.53,-10.44,;24.87,-11.2,;26.2,-11.97,;25.64,-9.86,;24.11,-12.53,;20.85,-10.45,;19.53,-11.23,;15.54,-13.54,;14.21,-12.78,;14.2,-11.24,;12.86,-13.56,;11.51,-12.82,;10.19,-13.62,;10.24,-15.16,;8.93,-15.96,;8.96,-17.5,;7.65,-18.3,;6.29,-17.56,;7.68,-19.84,;9.02,-20.58,;9.05,-22.13,;7.73,-22.93,;6.39,-22.19,;6.36,-20.65,;4.46,-20.01,;3.48,-21.22,;4.04,-22.65,;3.08,-23.85,;1.56,-23.61,;.59,-24.82,;1,-22.18,;1.96,-20.99,;1.39,-19.54,;2.37,-18.34,;1.81,-16.91,;2.76,-15.71,;2.2,-14.28,;4.3,-15.94,;4.85,-17.37,;3.89,-18.58,;10.4,-22.87,;11.76,-23.61,;13.11,-24.35,;11.58,-15.9,;12.89,-15.1,;23.5,-1.2,;24.84,-1.98,;23.49,.34,;24.82,1.1,;26.16,.34,;27.5,1.12,;24.81,2.63,;26.15,3.41,;23.47,3.39,)| Show InChI InChI=1S/C54H62N9O16PS/c1-28(2)19-41(53(73)63-43(26-64)49(56)69)60-47(68)25-58-52(72)40(17-18-46(55)67)61-54(74)42(20-29-5-12-35(13-6-29)79-80(75,76)77)62-50(70)31-7-3-30(4-8-31)24-57-51(71)39-21-32(59-27-81)9-14-36(39)48-37-15-10-33(65)22-44(37)78-45-23-34(66)11-16-38(45)48/h5-6,9-16,21-23,28,30-31,40-43,64-65H,3-4,7-8,17-20,24-26H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,71)(H,58,72)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H2,75,76,77)/t30-,31-,40-,41-,42-,43-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy				J Med Chem 52: 1612-8 (2009) Article DOI: 10.1021/jm800789h BindingDB Entry DOI: 10.7270/Q2XP74TZ
					More data for this Ligand-Target Pair