Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'gräber' and Initial = 'm'   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50349791 (CHEMBL1809230) Show SMILES CSCC[C@H](NC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C49H60N7O19PS/c1-23(2)18-34(47(67)68)53-45(65)36-6-5-16-56(36)46(66)40(24(3)75-76(70,71)72)55-44(64)35(22-57)54-42(62)32(13-14-39(50)60)52-43(63)33(15-17-77-4)51-41(61)25-7-10-28-31(19-25)49(74-48(28)69)29-11-8-26(58)20-37(29)73-38-21-27(59)9-12-30(38)49/h7-12,19-21,23-24,32-36,40,57-59H,5-6,13-18,22H2,1-4H3,(H2,50,60)(H,51,61)(H,52,63)(H,53,65)(H,54,62)(H,55,64)(H,67,68)(H2,70,71,72)/t24-,32+,33+,34+,35+,36+,40+/m1/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	93	n/a	n/a	n/a	n/a	n/a
Helmholtz Center Dresden-Rossendorf Curated by ChEMBL					Assay Description Binding affinity to human polo-box domain of PLK1 after 1 hr by fluorescence polarization-based assay				Bioorg Med Chem Lett 21: 4686-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.103 BindingDB Entry DOI: 10.7270/Q2BP034N
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50349793 (CHEMBL1809232) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)[C@@H](C)OP(O)(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C197H304N53O49PS/c1-15-108(6)157(187(286)218-103-155(259)242-156(107(4)5)186(285)217-102-154(258)220-111(9)190(289)247-88-43-63-146(247)161(208)260)243-163(262)110(8)222-188(287)158(113(11)252)244-177(276)138(74-76-153(207)257)235-184(283)148-65-45-90-249(148)192(291)144(96-118-51-23-18-24-52-118)240-189(288)159(114(12)253)245-181(280)143(98-120-101-213-105-219-120)238-180(279)142(95-117-49-21-17-22-50-117)237-174(273)133(232-179(278)140(93-106(2)3)239-185(284)149-66-46-91-250(149)193(292)160(115(13)299-300(294,295)296)246-182(281)145(104-251)241-175(274)137(73-75-152(206)256)233-176(275)139(77-92-301-14)224-164(263)119-67-70-123-126(97-119)197(298-194(123)293)124-71-68-121(254)99-150(124)297-151-100-122(255)69-72-125(151)197)60-32-40-85-214-162(261)109(7)221-178(277)141(94-116-47-19-16-20-48-116)236-173(272)132(58-30-38-83-203)229-172(271)136(62-42-87-216-196(211)212)231-169(268)131(57-29-37-82-202)227-168(267)130(56-28-36-81-201)228-170(269)134(59-31-39-84-204)234-183(282)147-64-44-89-248(147)191(290)112(10)223-166(265)128(54-26-34-79-199)226-171(270)135(61-41-86-215-195(209)210)230-167(266)129(55-27-35-80-200)225-165(264)127(205)53-25-33-78-198/h16-24,47-52,67-72,97,99-101,105-115,127-149,156-160,251-255H,15,25-46,53-66,73-96,98,102-104,198-205H2,1-14H3,(H2,206,256)(H2,207,257)(H2,208,260)(H,213,219)(H,214,261)(H,217,285)(H,218,286)(H,220,258)(H,221,277)(H,222,287)(H,223,265)(H,224,263)(H,225,264)(H,226,270)(H,227,267)(H,228,269)(H,229,271)(H,230,266)(H,231,268)(H,232,278)(H,233,275)(H,234,282)(H,235,283)(H,236,272)(H,237,273)(H,238,279)(H,239,284)(H,240,288)(H,241,274)(H,242,259)(H,243,262)(H,244,276)(H,245,280)(H,246,281)(H4,209,210,215)(H4,211,212,216)(H2,294,295,296)/t108-,109-,110-,111-,112-,113+,114+,115+,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,156-,157-,158-,159-,160-/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	326	n/a	n/a	n/a	n/a	n/a
Helmholtz Center Dresden-Rossendorf Curated by ChEMBL					Assay Description Binding affinity to human polo-box domain of PLK1 after 1 hr by fluorescence polarization-based assay				Bioorg Med Chem Lett 21: 4686-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.103 BindingDB Entry DOI: 10.7270/Q2BP034N
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50349792 (CHEMBL1809231) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-c1ccc2-[#6](=O)-[#8]C3(c2c1)c1ccc(-[#8])cc1-[#8]-c1cc(-[#8])ccc31)-[#6@@H](-[#6])-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C141H227N42O37PS/c1-11-77(8)112(134(212)175-90(35-18-23-56-145)118(196)174-97(49-51-111(190)191)124(202)164-87(114(149)192)32-15-20-53-142)181-127(205)91(36-19-24-57-146)169-131(209)103(71-109(148)188)178-123(201)95(40-28-61-161-140(156)157)172-130(208)102(67-79-30-13-12-14-31-79)177-121(199)89(34-17-22-55-144)167-120(198)93(38-26-59-159-138(152)153)171-129(207)101(66-76(6)7)176-122(200)94(39-27-60-160-139(154)155)168-117(195)88(33-16-21-54-143)166-119(197)92(37-25-58-158-137(150)151)170-128(206)100(65-75(4)5)163-110(189)72-162-116(194)99(64-74(2)3)179-133(211)105-41-29-62-183(105)135(213)113(78(9)220-221(215,216)217)182-132(210)104(73-184)180-125(203)96(48-50-108(147)187)173-126(204)98(52-63-222-10)165-115(193)80-42-45-83-86(68-80)141(219-136(83)214)84-46-43-81(185)69-106(84)218-107-70-82(186)44-47-85(107)141/h12-14,30-31,42-47,68-70,74-78,87-105,112-113,184-186H,11,15-29,32-41,48-67,71-73,142-146H2,1-10H3,(H2,147,187)(H2,148,188)(H2,149,192)(H,162,194)(H,163,189)(H,164,202)(H,165,193)(H,166,197)(H,167,198)(H,168,195)(H,169,209)(H,170,206)(H,171,207)(H,172,208)(H,173,204)(H,174,196)(H,175,212)(H,176,200)(H,177,199)(H,178,201)(H,179,211)(H,180,203)(H,181,205)(H,182,210)(H,190,191)(H4,150,151,158)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)(H2,215,216,217)/t77-,78+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,112-,113-/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	256	n/a	n/a	n/a	n/a	n/a
Helmholtz Center Dresden-Rossendorf Curated by ChEMBL					Assay Description Binding affinity to human polo-box domain of PLK1 after 1 hr by fluorescence polarization-based assay				Bioorg Med Chem Lett 21: 4686-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.103 BindingDB Entry DOI: 10.7270/Q2BP034N
					More data for this Ligand-Target Pair