Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'verli' and Initial = 'h'   

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 (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain butyrylcholinesterase (BuChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125781 (9-methoxy-4-methyl-(1R,12S,14R)-4-azatetracyclo[8....) Show SMILES COc1ccc2CN(C)CCC34C=C[C@H](O)C[C@@H]3Cc1c24 |c:12| Show InChI InChI=1S/C18H23NO2/c1-19-8-7-18-6-5-14(20)9-13(18)10-15-16(21-2)4-3-12(11-19)17(15)18/h3-6,13-14,20H,7-11H2,1-2H3/t13-,14+,18?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125776 (2-Phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quin...) Show SMILES Nc1c2CCCCc2nc2nn(cc12)-c1ccccc1 Show InChI InChI=1S/C16H16N4/c17-15-12-8-4-5-9-14(12)18-16-13(15)10-20(19-16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125782 (3-Methyl-1-phenyl-6,7,8,9-tetrahydro-1H-1,2,10,11-...) Show SMILES Cc1nn(-c2ccccc2)c2nc3nc4CCCCc4c(N)c3cc12 Show InChI InChI=1S/C20H19N5/c1-12-15-11-16-18(21)14-9-5-6-10-17(14)22-19(16)23-20(15)25(24-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125780 (3-Methyl-1-phenyl-1,6,7,8-tetrahydro-1,2,9,10-tetr...) Show SMILES Cc1nn(-c2ccccc2)c2nc3nc4CCCc4c(N)c3cc12 Show InChI InChI=1S/C19H17N5/c1-11-14-10-15-17(20)13-8-5-9-16(13)21-18(15)22-19(14)24(23-11)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125783 (3-Methyl-1-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[4...) Show SMILES Cc1nn(-c2ccccc2)c2c(N)c3CCCCc3nc12 Show InChI InChI=1S/C17H18N4/c1-11-16-17(21(20-11)12-7-3-2-4-8-12)15(18)13-9-5-6-10-14(13)19-16/h2-4,7-8H,5-6,9-10H2,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125779 (3-Methyl-1-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[3...) Show SMILES Cc1nn(-c2ccccc2)c2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C17H18N4/c1-11-15-16(18)13-9-5-6-10-14(13)19-17(15)21(20-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125777 (3-Methyl-1-phenyl-1,5,6,7-tetrahydro-1,2,8-triaza-...) Show SMILES Cc1nn(-c2ccccc2)c2nc3CCCc3c(N)c12 Show InChI InChI=1S/C16H16N4/c1-10-14-15(17)12-8-5-9-13(12)18-16(14)20(19-10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50125776 (2-Phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quin...) Show SMILES Nc1c2CCCCc2nc2nn(cc12)-c1ccccc1 Show InChI InChI=1S/C16H16N4/c17-15-12-8-4-5-9-14(12)18-16-13(15)10-20(19-16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,17H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain butyrylcholinesterase (BuChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50125778 (3-Methyl-1-phenyl-1,5,6,7-tetrahydro-1,2,4-triaza-...) Show SMILES Cc1nn(-c2ccccc2)c2c(N)c3CCCc3nc12 Show InChI InChI=1S/C16H16N4/c1-10-15-16(14(17)12-8-5-9-13(12)18-15)20(19-10)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50125782 (3-Methyl-1-phenyl-6,7,8,9-tetrahydro-1H-1,2,10,11-...) Show SMILES Cc1nn(-c2ccccc2)c2nc3nc4CCCCc4c(N)c3cc12 Show InChI InChI=1S/C20H19N5/c1-12-15-11-16-18(21)14-9-5-6-10-17(14)22-19(16)23-20(15)25(24-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,21,22,23)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain butyrylcholinesterase (BuChE) was determined using Ellman's method				J Med Chem 46: 1144-52 (2003) Article DOI: 10.1021/jm020391n BindingDB Entry DOI: 10.7270/Q26972X5
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50411865 (CHEMBL261832) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN(Cc2ccc(O)cc2)Cc2ccc(O)cc2)CC1 |c:9| Show InChI InChI=1S/C56H84N4O5/c1-39-21-26-56(28-27-54(7)46(50(56)40(39)2)19-20-48-53(6)24-23-49(65-41(3)61)52(4,5)47(53)22-25-55(48,54)8)51(64)57-29-9-30-58-33-35-59(36-34-58)31-10-32-60(37-42-11-15-44(62)16-12-42)38-43-13-17-45(63)18-14-43/h11-19,39-40,47-50,62-63H,9-10,20-38H2,1-8H3,(H,57,64)/t39-,40+,47+,48-,49+,50+,53+,54-,55-,56+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.25E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50411864 (CHEMBL436662) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN(Cc2ccc(cc2)[N+]([O-])=O)Cc2ccc(cc2)[N+]([O-])=O)CC1 |c:9| Show InChI InChI=1S/C56H82N6O7/c1-39-21-26-56(28-27-54(7)46(50(56)40(39)2)19-20-48-53(6)24-23-49(69-41(3)63)52(4,5)47(53)22-25-55(48,54)8)51(64)57-29-9-30-58-33-35-59(36-34-58)31-10-32-60(37-42-11-15-44(16-12-42)61(65)66)38-43-13-17-45(18-14-43)62(67)68/h11-19,39-40,47-50H,9-10,20-38H2,1-8H3,(H,57,64)/t39-,40+,47+,48-,49+,50+,53+,54-,55-,56+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50225900 (CHEMBL270215 | N-{3-[4-(3-aminopropyl)piperazinyl]...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN)CC1 |r,c:9| Show InChI InChI=1S/C42H72N4O3/c1-29-13-18-42(37(48)44-22-10-24-46-27-25-45(26-28-46)23-9-21-43)20-19-40(7)32(36(42)30(29)2)11-12-34-39(6)16-15-35(49-31(3)47)38(4,5)33(39)14-17-41(34,40)8/h11,29-30,33-36H,9-10,12-28,43H2,1-8H3,(H,44,48)/t29-,30+,33+,34-,35+,36+,39+,40-,41-,42+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair