Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 50018638   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587753 (CHEMBL5190569) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(cc2)C(F)(F)F)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0680	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50587754 (CHEMBL5197518) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(OC(F)(F)F)cc2)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0920	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610559 (CHEMBL5286535) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2F)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50587754 (CHEMBL5197518) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(OC(F)(F)F)cc2)ccc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.211	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610557 (CHEMBL5272625) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2Cl)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50587753 (CHEMBL5190569) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(cc2)C(F)(F)F)ccc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.255	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610558 (CHEMBL5269238) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.284	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610556 (CHEMBL5266033) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2)ccc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.334	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610558 (CHEMBL5269238) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2)ccc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.479	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610559 (CHEMBL5286535) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2F)ccc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.624	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610556 (CHEMBL5266033) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2)ccc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.628	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610557 (CHEMBL5272625) Show SMILES COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2Cl)ccc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.864	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610554 (CHEMBL5289994) Show SMILES COc1ccc(cc1)C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610555 (CHEMBL5267312) Show SMILES C\C(=C/C1=CCN(C(=O)CCc2ccccc2)C(=O)C1)N1C(=O)c2ccccc2C1=O |t:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610549 (CHEMBL5276338) Show SMILES Cl.Cl.COc1cc2CC(CC3CCN(CCCNc4c5C6CC(Cc5nc5cc(Cl)ccc45)C=C(C)C6)CC3)Cc2cc1OC |t:34| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610553 (CHEMBL5277927) Show SMILES COc1ccccc1C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610564 (CHEMBL5282833) Show SMILES Oc1c(oc2cc(F)c(I)cc2c1=O)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610565 (CHEMBL5274465) Show SMILES Oc1c(oc2cc(F)c(I)cc2c1=O)-c1ccc(Cl)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50217942 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...) Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610547 (CHEMBL5268897) Show SMILES Cl.Cl.CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCN1CCC(CC2Cc3cc(OC)c(OC)cc3C2)CC1 |t:2| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610546 (CHEMBL1613299) Show SMILES COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610552 (CHEMBL5273978) Show SMILES Cc1cccc(c1)C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610561 (CHEMBL5291052) Show SMILES Oc1cc(Br)c(I)cc1C(=O)\C=C\c1ccc(F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610549 (CHEMBL5276338) Show SMILES Cl.Cl.COc1cc2CC(CC3CCN(CCCNc4c5C6CC(Cc5nc5cc(Cl)ccc45)C=C(C)C6)CC3)Cc2cc1OC |t:34| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610551 (CHEMBL5279409) Show SMILES O=C(N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50241867 (((2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hy...) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610547 (CHEMBL5268897) Show SMILES Cl.Cl.CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCN1CCC(CC2Cc3cc(OC)c(OC)cc3C2)CC1 |t:2| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610566 (CHEMBL5278429) Show SMILES COc1ccc(cc1)-c1oc2cc(OC)c(I)cc2c(=O)c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610545 (CHEMBL5266286) Show SMILES COc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610562 (CHEMBL5275941) Show SMILES COc1cc(O)c(cc1I)C(=O)\C=C\c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610544 (CHEMBL5268019) Show SMILES COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM31900 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 25....) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C40H43ClN4O2/c41-29-18-19-31-36(26-29)44-34-15-7-6-13-30(34)39(31)43-23-9-2-1-8-22-42-37(46)21-17-27-16-20-35-33(25-27)40-32(14-10-24-47-40)38(45-35)28-11-4-3-5-12-28/h3-5,11-12,16,18-20,25-26H,1-2,6-10,13-15,17,21-24H2,(H,42,46)(H,43,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610563 (CHEMBL5272974) Show SMILES COc1ccc(\C=C\C(=O)c2cc(I)c(OC)cc2O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM31901 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 26....) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C41H45ClN4O2/c42-30-19-20-32-37(27-30)45-35-16-8-7-14-31(35)40(32)44-24-10-3-1-2-9-23-43-38(47)22-18-28-17-21-36-34(26-28)41-33(15-11-25-48-41)39(46-36)29-12-5-4-6-13-29/h4-6,12-13,17,19-21,26-27H,1-3,7-11,14-16,18,22-25H2,(H,43,47)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610561 (CHEMBL5291052) Show SMILES Oc1cc(Br)c(I)cc1C(=O)\C=C\c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610560 (CHEMBL5265752) Show SMILES COc1ccc(\C=C\C(=O)c2cc(I)c(Cl)cc2O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610550 (CHEMBL5290959) Show SMILES Cl.Cl.COc1cc2CC(CC3CCN(CCNc4c5C6CC(Cc5nc5cc(Cl)ccc45)C=C(C)C6)CC3)Cc2cc1OC |t:33| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610560 (CHEMBL5265752) Show SMILES COc1ccc(\C=C\C(=O)c2cc(I)c(Cl)cc2O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM31902 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 27....) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C42H47ClN4O2/c43-31-20-21-33-38(28-31)46-36-17-9-8-15-32(36)41(33)45-25-11-4-2-1-3-10-24-44-39(48)23-19-29-18-22-37-35(27-29)42-34(16-12-26-49-42)40(47-37)30-13-6-5-7-14-30/h5-7,13-14,18,20-22,27-28H,1-4,8-12,15-17,19,23-26H2,(H,44,48)(H,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50404156 (CHEMBL5272243) Show SMILES CNCCN(Cc1ccc(OC)cc1)c1ccccn1 Show InChI InChI=1S/C16H21N3O/c1-17-11-12-19(16-5-3-4-10-18-16)13-14-6-8-15(20-2)9-7-14/h3-10,17H,11-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610565 (CHEMBL5274465) Show SMILES Oc1c(oc2cc(F)c(I)cc2c1=O)-c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM31894 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 19....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C39H40Cl2N4O2/c40-27-15-12-25(13-16-27)36-31-10-8-22-47-38(31)32-23-26(14-19-34(32)45-36)39(46)43-21-7-3-1-2-6-20-42-37-29-9-4-5-11-33(29)44-35-24-28(41)17-18-30(35)37/h12-19,23-24H,1-11,20-22H2,(H,42,44)(H,43,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610546 (CHEMBL1613299) Show SMILES COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610544 (CHEMBL5268019) Show SMILES COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610545 (CHEMBL5266286) Show SMILES COc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610566 (CHEMBL5278429) Show SMILES COc1ccc(cc1)-c1oc2cc(OC)c(I)cc2c(=O)c1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Homo sapiens (Human))	BDBM50610552 (CHEMBL5273978) Show SMILES Cc1cccc(c1)C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50610562 (CHEMBL5275941) Show SMILES COc1cc(O)c(cc1I)C(=O)\C=C\c1ccc(F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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