BDBM50321383 CHEMBL1171330::QEMFRDFDYIADW

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=FZBMNEOULVQIIN-HHEMGQLZSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50321383   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50321383 (CHEMBL1171330 | QEMFRDFDYIADW) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:4.4,2.2,101.103,86.89,28.37,8.17,47.56,69.76,wD:96.99,39.45,58.68,77.85,20.25,109.111,(30.61,-7.98,;29.28,-8.75,;27.95,-7.98,;27.95,-6.44,;26.61,-8.75,;25.28,-7.98,;25.28,-5.98,;26.61,-5.21,;23.94,-5.21,;23.94,-3.67,;25.28,-2.9,;26.61,-3.67,;27.94,-2.9,;27.94,-1.37,;29.28,-.6,;26.61,-.6,;25.28,-1.37,;22.61,-5.99,;21.28,-5.22,;21.28,-3.68,;19.95,-5.99,;19.95,-7.53,;21.28,-8.3,;22.62,-7.53,;21.28,-9.84,;18.61,-5.22,;17.28,-5.98,;17.28,-7.52,;15.94,-5.21,;15.94,-3.67,;17.28,-2.9,;18.61,-3.67,;19.94,-2.9,;19.94,-1.37,;18.61,-.6,;17.28,-1.37,;14.61,-5.99,;13.28,-5.22,;13.28,-3.68,;11.95,-5.99,;11.95,-7.53,;13.28,-8.3,;14.62,-7.54,;13.28,-9.84,;10.61,-5.22,;9.27,-5.98,;9.27,-7.52,;7.94,-5.21,;7.94,-3.67,;9.27,-2.9,;9.27,-1.36,;10.61,-.6,;10.6,.94,;9.28,1.71,;11.95,1.71,;6.61,-5.99,;5.28,-5.22,;5.28,-3.68,;3.94,-5.99,;3.94,-7.53,;5.28,-8.3,;6.61,-7.53,;7.94,-8.3,;7.93,-9.84,;6.6,-10.61,;5.27,-9.84,;2.61,-5.22,;1.27,-5.98,;1.27,-7.52,;-.06,-5.21,;-.06,-3.67,;1.27,-2.9,;1.27,-1.36,;2.61,-.59,;-1.4,-5.98,;-2.73,-5.21,;-2.73,-3.67,;-4.06,-5.98,;-4.06,-7.52,;-2.73,-8.29,;-2.73,-9.83,;-4.06,-10.61,;-1.4,-10.6,;-5.4,-5.21,;-6.73,-5.97,;-6.73,-7.51,;-8.07,-5.2,;-9.4,-5.98,;-8.07,-3.66,;-6.73,-2.89,;-6.73,-1.35,;-8.06,-.59,;-5.4,-.58,;26.61,-10.29,;25.28,-11.06,;27.94,-11.07,;27.93,-12.61,;26.6,-13.38,;29.27,-13.38,;30.6,-12.61,;29.27,-14.92,;30.6,-15.69,;31.94,-14.92,;33.27,-15.69,;33.28,-17.24,;34.6,-14.92,;30.6,-17.23,;29.27,-18,;31.93,-18,;31.93,-19.54,;30.6,-20.31,;30.6,-21.85,;31.84,-22.76,;31.37,-24.22,;29.83,-24.22,;28.8,-25.36,;27.29,-25.03,;26.81,-23.58,;27.84,-22.43,;29.35,-22.76,;33.26,-20.31,;33.26,-21.86,;34.6,-19.54,)| Show InChI InChI=1S/C80H106N18O24S/c1-5-41(2)66(78(120)87-42(3)67(109)91-57(37-63(103)104)76(118)97-60(79(121)122)36-46-40-86-50-20-13-12-19-48(46)50)98-77(119)56(35-45-22-24-47(99)25-23-45)94-75(117)59(39-65(107)108)96-73(115)55(34-44-17-10-7-11-18-44)93-74(116)58(38-64(105)106)95-69(111)51(21-14-31-85-80(83)84)89-72(114)54(33-43-15-8-6-9-16-43)92-71(113)53(30-32-123-4)90-70(112)52(27-29-62(101)102)88-68(110)49(81)26-28-61(82)100/h6-13,15-20,22-25,40-42,49,51-60,66,86,99H,5,14,21,26-39,81H2,1-4H3,(H2,82,100)(H,87,120)(H,88,110)(H,89,114)(H,90,112)(H,91,109)(H,92,113)(H,93,116)(H,94,117)(H,95,111)(H,96,115)(H,97,118)(H,98,119)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,121,122)(H4,83,84,85)/t41-,42-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair