Compile Data Set for Download or QSAR

Found 167 hits of ki 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))	BDBM281656 (US10022461, Compound 126) Show SMILES Nc1cc2cc(ncc2cc1I)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11IN4/c17-13-5-12-8-20-16(7-11(12)6-14(13)18)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	-13.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281558 (US10022461, Compound 9) Show SMILES Fc1ccc2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H10FN3/c17-14-2-1-12-9-19-16(8-13(12)7-14)20-6-4-11-3-5-18-10-15(11)20/h1-10H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.220	-13.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281645 (US10022461, Compound 115) Show SMILES Nc1cc(F)cc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-12-5-11-8-20-16(7-13(11)14(18)6-12)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.224	-13.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281560 (US10022461, Compound 12) Show SMILES Nc1ccc2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H12N4/c17-14-2-1-12-8-16(19-9-13(12)7-14)20-6-4-11-3-5-18-10-15(11)20/h1-10H,17H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.290	-13.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281561 (US10022461, Compound 13) Show SMILES COc1ccc2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H13N3O/c1-21-15-3-2-13-9-17(19-10-14(13)8-15)20-7-5-12-4-6-18-11-16(12)20/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.290	-13.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281633 (US10022461, Compound 103) Show SMILES COc1cccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C17H13N3O/c1-21-16-4-2-3-13-9-17(19-10-14(13)16)20-8-6-12-5-7-18-11-15(12)20/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	-12.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281563 (US10022461, Compound 14-1) Show SMILES CNc1ccc2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H14N4/c1-18-15-3-2-13-10-20-17(9-14(13)8-15)21-7-5-12-4-6-19-11-16(12)21/h2-11,18H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.330	-12.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281609 (US10022461, Compound 59) Show SMILES Nc1cccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H12N4/c17-14-3-1-2-12-8-16(19-9-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H,17H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.330	-12.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281635 (US10022461, Compound 105) Show SMILES Nc1cc2cnc(cc2cc1F)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-13-5-11-7-16(20-8-12(11)6-14(13)18)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.383	-12.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281559 (US10022461, Compound 11-5) Show SMILES Nc1cccc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H12N4/c17-14-3-1-2-12-9-19-16(8-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H,17H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.400	-12.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281565 (US10022461, Compound 16) Show SMILES FCCOc1ccc2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C18H14FN3O/c19-5-8-23-16-2-1-14-10-18(21-11-15(14)9-16)22-7-4-13-3-6-20-12-17(13)22/h1-4,6-7,9-12H,5,8H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.410	-12.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281639 (US10022461, Compound 109) Show SMILES Nc1cc2cc(ncc2cc1F)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-13-5-12-8-20-16(7-11(12)6-14(13)18)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.423	-12.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281566 (US10022461, Compound 17) Show SMILES FCOc1ccc2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H12FN3O/c18-11-22-15-2-1-13-8-17(20-9-14(13)7-15)21-6-4-12-3-5-19-10-16(12)21/h1-10H,11H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.430	-12.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281567 (US10022461, Compound 18) Show SMILES Nc1c(F)ccc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.430	-12.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281649 (US10022461, Compound 119) Show SMILES Nc1c(I)ccc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11IN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.438	-12.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281623 (US10022461, Compound 75) Show SMILES Oc1ccc2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11N3O/c20-14-2-1-12-9-18-16(8-13(12)7-14)19-6-4-11-3-5-17-10-15(11)19/h1-10,20H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.480	-12.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281557 (US10022461, Compound 8) Show SMILES c1cc2cc(ncc2[nH]1)-n1ccc2ccncc12 Show InChI InChI=1S/C14H10N4/c1-4-15-9-13-10(1)3-6-18(13)14-7-11-2-5-16-12(11)8-17-14/h1-9,16H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.480	-12.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50384537 (CHEMBL2036430) Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(I)cc2s1 Show InChI InChI=1S/C15H13IN4S/c1-20(2)12-6-4-11(5-7-12)18-19-15-17-13-8-3-10(16)9-14(13)21-15/h3-9H,1-2H3/b19-18+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of Thioflavin S from 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))	BDBM281644 (US10022461, Compound 114) Show SMILES Nc1cc(F)c2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-14-6-12(18)5-11-8-20-16(7-13(11)14)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.494	-12.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281651 (US10022461, Compound 121) Show SMILES Nc1c(I)ccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11IN4/c17-13-2-1-11-7-15(20-8-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.512	-12.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281626 (US10022461, Compound 93) Show SMILES CNc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C18H15N5/c1-19-17-10-14(5-8-21-17)15-2-3-18(22-11-15)23-9-6-13-4-7-20-12-16(13)23/h2-12H,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	-12.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281564 (US10022461, Compound 15) Show SMILES Oc1ccc2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11N3O/c20-14-2-1-12-8-16(18-9-13(12)7-14)19-6-4-11-3-5-17-10-15(11)19/h1-10,20H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	-12.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281555 (US10022461, Compound 6) Show SMILES c1cc2ccncc2n1-c1cc2ccccc2cn1 Show InChI InChI=1S/C16H11N3/c1-2-4-14-10-18-16(9-13(14)3-1)19-8-6-12-5-7-17-11-15(12)19/h1-11H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.540	-12.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281630 (US10022461, Compound 99) Show SMILES Nc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H13N5/c18-16-9-13(4-7-20-16)14-1-2-17(21-10-14)22-8-5-12-3-6-19-11-15(12)22/h1-11H,(H2,18,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	-12.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281568 (US10022461, Compound 19) Show SMILES Cn1ccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C15H12N4/c1-18-6-3-12-8-15(17-10-13(12)18)19-7-4-11-2-5-16-9-14(11)19/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.620	-12.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281599 (US10022461, Compound 49) Show SMILES Oc1cccc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11N3O/c20-15-3-1-2-12-9-18-16(8-13(12)15)19-7-5-11-4-6-17-10-14(11)19/h1-10,20H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.670	-12.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281642 (US10022461, Compound 112) Show SMILES Nc1cc(F)cc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-12-5-11-6-16(20-8-13(11)14(18)7-12)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.672	-12.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281638 (US10022461, Compound 108) Show SMILES Nc1ccc2cc(ncc2c1F)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-16-12-8-20-15(7-11(12)1-2-13(16)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.677	-12.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281624 (US10022461, Compound 88) Show SMILES CNc1ccc(cn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C18H15N5/c1-19-17-4-2-14(10-21-17)15-3-5-18(22-11-15)23-9-7-13-6-8-20-12-16(13)23/h2-12H,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	-12.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281600 (US10022461, Compound 50) Show SMILES Cc1cc(ncc1C#C)-n1ccc2ccncc12 Show InChI InChI=1S/C15H11N3/c1-3-12-9-17-15(8-11(12)2)18-7-5-13-4-6-16-10-14(13)18/h1,4-10H,2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	-12.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281569 (US10022461, Compound 20) Show SMILES Ic1ccc2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H10IN3/c17-14-2-1-12-9-19-16(8-13(12)7-14)20-6-4-11-3-5-18-10-15(11)20/h1-10H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	-12.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281622 (US10022461, Compound 72) Show SMILES CNc1cccc(c1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C19H16N4/c1-20-17-4-2-3-15(11-17)16-5-6-19(22-12-16)23-10-8-14-7-9-21-13-18(14)23/h2-13,20H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.760	-12.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281643 (US10022461, Compound 113) Show SMILES Nc1cc(F)c2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-14-7-12(18)5-11-6-16(20-8-13(11)14)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.784	-12.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281601 (US10022461, Compound 51) Show SMILES Cc1cc(ncc1C#CCF)-n1ccc2ccncc12 Show InChI InChI=1S/C16H12FN3/c1-12-9-16(19-10-14(12)3-2-6-17)20-8-5-13-4-7-18-11-15(13)20/h4-5,7-11H,6H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.870	-12.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281628 (US10022461, Compound 95) Show SMILES CN(C)c1ccc(cn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C19H17N5/c1-23(2)18-5-3-15(11-21-18)16-4-6-19(22-12-16)24-10-8-14-7-9-20-13-17(14)24/h3-13H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.960	-12.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281602 (US10022461, Compound 52) Show SMILES CC#Cc1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C15H11N3/c1-2-3-12-4-5-15(17-10-12)18-9-7-13-6-8-16-11-14(13)18/h4-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.980	-12.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281603 (US10022461, Compound 53) Show SMILES c1ncc(s1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C15H10N4S/c1-2-15(18-7-12(1)14-9-17-10-20-14)19-6-4-11-3-5-16-8-13(11)19/h1-10H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.02	-12.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281604 (US10022461, Compound 54) Show SMILES Fc1cccc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H10FN3/c17-14-3-1-2-12-9-19-16(8-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.05	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281631 (US10022461, Compound 100) Show SMILES Nc1ccc(cn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H13N5/c18-16-3-1-13(9-20-16)14-2-4-17(21-10-14)22-8-6-12-5-7-19-11-15(12)22/h1-11H,(H2,18,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281654 (US10022461, Compound 124) Show SMILES Nc1cc(I)cc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11IN4/c17-12-5-11-6-16(20-8-13(11)14(18)7-12)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.07	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281641 (US10022461, Compound 111) Show SMILES Nc1ccc2cnc(cc2c1F)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-16-12-7-15(20-8-11(12)1-2-13(16)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.09	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281597 (US10022461, Compound 44) Show SMILES Fc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H11FN4/c18-16-9-13(4-7-20-16)14-1-2-17(21-10-14)22-8-5-12-3-6-19-11-15(12)22/h1-11H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.13	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281629 (US10022461, Compound 98) Show SMILES c1cc([nH]n1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C15H11N5/c1-2-15(17-9-12(1)13-4-7-18-19-13)20-8-5-11-3-6-16-10-14(11)20/h1-10H,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.13	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281605 (US10022461, Compound 55) Show SMILES FCOc1cccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C17H12FN3O/c18-11-22-16-3-1-2-13-8-17(20-9-14(13)16)21-7-5-12-4-6-19-10-15(12)21/h1-10H,11H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.14	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281632 (US10022461, Compound 101) Show SMILES c1cc2ccncc2n1-c1ccc(cn1)-c1ccccn1 Show InChI InChI=1S/C17H12N4/c1-2-8-19-15(3-1)14-4-5-17(20-11-14)21-10-7-13-6-9-18-12-16(13)21/h1-12H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.14	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281606 (US10022461, Compound 56) Show SMILES Oc1cccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11N3O/c20-15-3-1-2-12-8-16(18-9-13(12)15)19-7-5-11-4-6-17-10-14(11)19/h1-10,20H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.16	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281657 (US10022461, Compound 127) Show SMILES Nc1cc(I)cc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11IN4/c17-12-5-11-8-20-16(7-13(11)14(18)6-12)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.17	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281607 (US10022461, Compound 57) Show SMILES FCOc1ccc2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H12FN3O/c18-11-22-15-2-1-13-9-20-17(8-14(13)7-15)21-6-4-12-3-5-19-10-16(12)21/h1-10H,11H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.23	-12.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281646 (US10022461, Compound 116) Show SMILES Nc1ccc(F)c2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-13-1-2-14(18)11-7-16(20-8-12(11)13)21-6-4-10-3-5-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.28	-12.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281608 (US10022461, Compound 58) Show SMILES Cn1cc(cn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H13N5/c1-20-11-14(9-19-20)13-2-3-16(18-8-13)21-7-5-12-4-6-17-10-15(12)21/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.32	-12.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair

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