Compile Data Set for Download or QSAR

Found 16 hits of kd data for polymerid = 7499   

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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50400616 (CHEMBL2203439) Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1C Show InChI InChI=1S/C17H16F3N3O2S/c1-11-13(21-8-7-15(11)25-10-17(18,19)20)9-26(24)16-22-12-5-3-4-6-14(12)23(16)2/h3-8H,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins				ACS Med Chem Lett 3: 936-941 (2012) Article DOI: 10.1021/ml300216t BindingDB Entry DOI: 10.7270/Q2Z320TV
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50384538 (CHEMBL2036419 | CHEMBL2036420) Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(OCCOCCOCCF)cc2s1 Show InChI InChI=1S/C21H25FN4O3S/c1-26(2)17-5-3-16(4-6-17)24-25-21-23-19-8-7-18(15-20(19)30-21)29-14-13-28-12-11-27-10-9-22/h3-8,15H,9-14H2,1-2H3/b25-24+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	44.8	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay				ACS Med Chem Lett 3: 58-62 (2012) Article DOI: 10.1021/ml200230e BindingDB Entry DOI: 10.7270/Q2PR7X1P
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50103964 (CHEMBL3593932) Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1 hr by scintillation counting				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601751 (US11642413, Compound 160313) Show SMILES CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOc3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)cc2s1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601742 (US11642413, Compound 159985) Show SMILES CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOCCOCCOCCOCCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2s1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601749 (US11642413, Compound 160219) Show SMILES CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2s1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601754 (US11642413, Compound 160624) Show SMILES CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCN3C(=O)CCC(N4Cc5cc(O)ccc5C4=O)C3=O)cc2s1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601755 (US11642413, Compound 160744) Show SMILES CN(C)c1ccc(c(F)n1)-c1ccc(cc1)-c1cn2cc(OCCOCCOCCOCCOCCOCCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)ccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601752 (US11642413, Compound 160275) Show SMILES CN(C)c1ccc2nc(sc2c1)-c1ccc(cc1)-c1ccc(NCCOCCOCCOCCOCCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50434484 (CHEMBL2385165) Show SMILES CN(C)c1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1 |w:8.8| Show InChI InChI=1S/C17H16IN3/c1-21(2)14-7-3-12(4-8-14)5-10-17-19-15-9-6-13(18)11-16(15)20-17/h3-11H,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Binding affinity to recombinant human tau (441 amino acid residues) aggregates expressed in Escherichia coli assessed as apparent dissociation consta...				Bioorg Med Chem 21: 3356-62 (2013) Article DOI: 10.1016/j.bmc.2013.02.054 BindingDB Entry DOI: 10.7270/Q23J3FB2
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50606489 (CHEMBL5220063) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112993 BindingDB Entry DOI: 10.7270/Q2P55SM1
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50434483 (CHEMBL2385164) Show SMILES CNc1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1 |w:7.7| Show InChI InChI=1S/C16H14IN3/c1-18-13-6-2-11(3-7-13)4-9-16-19-14-8-5-12(17)10-15(14)20-16/h2-10,18H,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Binding affinity to recombinant human tau (441 amino acid residues) aggregates expressed in Escherichia coli assessed as apparent dissociation consta...				Bioorg Med Chem 21: 3356-62 (2013) Article DOI: 10.1016/j.bmc.2013.02.054 BindingDB Entry DOI: 10.7270/Q23J3FB2
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601750 (US11642413, Compound 160273) Show SMILES CN(C)c1ccc(cn1)-c1ccc(cc1)-c1nc2ccc(NCCOCCOCCOCCOCCOCCOc3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)cc2s1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM601753 (US11642413, Compound 160383) Show SMILES CN(C)c1ccc2nc(sc2c1)-c1ccc(cc1)-c1ccc(NCCOCCOCCOCCOCCOCCOc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)nc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HM5DC8
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50295169 (CHEMBL4177337) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C169H270N62O59/c1-77(2)63-105(150(278)214-95(24-15-59-195-167(184)185)141(269)212-93(22-13-57-193-165(180)181)139(267)210-91(20-11-55-191-163(176)177)137(265)208-90(19-10-54-190-162(174)175)136(264)209-92(21-12-56-192-164(178)179)138(266)211-94(23-14-58-194-166(182)183)140(268)213-96(25-16-60-196-168(186)187)142(270)221-104(161(289)290)26-17-61-197-169(188)189)223-154(282)109(67-86-32-38-89(239)39-33-86)225-143(271)98(44-51-124(248)249)205-122(246)74-201-158(286)130(81(7)234)230-148(276)103(46-53-126(252)253)220-157(285)115-27-18-62-231(115)160(288)112(70-129(258)259)228-151(279)106(64-78(3)4)224-156(284)114(76-233)207-123(247)73-200-135(263)113(75-232)206-121(245)72-198-120(244)71-199-134(262)97(40-47-116(170)240)215-145(273)102(45-52-125(250)251)219-155(283)111(69-128(256)257)222-132(260)79(5)203-159(287)131(82(8)235)229-133(261)80(6)202-149(277)110(68-127(254)255)227-147(275)101(43-50-119(173)243)218-153(281)108(66-85-30-36-88(238)37-31-85)226-146(274)100(42-49-118(172)242)216-144(272)99(41-48-117(171)241)217-152(280)107(204-83(9)236)65-84-28-34-87(237)35-29-84/h28-39,77-82,90-115,130-131,232-235,237-239H,10-27,40-76H2,1-9H3,(H2,170,240)(H2,171,241)(H2,172,242)(H2,173,243)(H,198,244)(H,199,262)(H,200,263)(H,201,286)(H,202,277)(H,203,287)(H,204,236)(H,205,246)(H,206,245)(H,207,247)(H,208,265)(H,209,264)(H,210,267)(H,211,266)(H,212,269)(H,213,268)(H,214,278)(H,215,273)(H,216,272)(H,217,280)(H,218,281)(H,219,283)(H,220,285)(H,221,270)(H,222,260)(H,223,282)(H,224,284)(H,225,271)(H,226,274)(H,227,275)(H,228,279)(H,229,261)(H,230,276)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,289,290)(H4,174,175,190)(H4,176,177,191)(H4,178,179,192)(H4,180,181,193)(H4,182,183,194)(H4,184,185,195)(H4,186,187,196)(H4,188,189,197)/t79-,80-,81+,82+,90+,91+,92+,93+,94+,95+,96+,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,130-,131-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	763	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to human Tau (1 to 441 residues) by ITC method				Eur J Med Chem 146: 251-259 (2018) Article DOI: 10.1016/j.ejmech.2018.01.063 BindingDB Entry DOI: 10.7270/Q2QZ2DH7
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50434482 (CHEMBL2385163) Show SMILES Nc1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C15H12IN3/c16-11-4-7-13-14(9-11)19-15(18-13)8-3-10-1-5-12(17)6-2-10/h1-9H,17H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Binding affinity to recombinant human tau (441 amino acid residues) aggregates expressed in Escherichia coli assessed as apparent dissociation consta...				Bioorg Med Chem 21: 3356-62 (2013) Article DOI: 10.1016/j.bmc.2013.02.054 BindingDB Entry DOI: 10.7270/Q23J3FB2
					More data for this Ligand-Target Pair