Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'emmerling' and Initial = 'mr'   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8986 (7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...) Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50060470 (10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...) Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12 Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50280625 (7-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12 Show InChI InChI=1S/C14H13ClN2/c15-9-3-4-10-11(6-9)17-14-8-2-1-7(5-8)12(14)13(10)16/h3-4,6-8H,1-2,5H2,(H2,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50279984 (8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50280625 (7-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12 Show InChI InChI=1S/C14H13ClN2/c15-9-3-4-10-11(6-9)17-14-8-2-1-7(5-8)12(14)13(10)16/h3-4,6-8H,1-2,5H2,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50280627 (5-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cccc(Cl)c12 Show InChI InChI=1S/C14H13ClN2/c15-9-2-1-3-10-12(9)13(16)11-7-4-5-8(6-7)14(11)17-10/h1-3,7-8H,4-6H2,(H2,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50279984 (8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50060470 (10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...) Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12 Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50279984 (8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50280627 (5-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cccc(Cl)c12 Show InChI InChI=1S/C14H13ClN2/c15-9-2-1-3-10-12(9)13(16)11-7-4-5-8(6-7)14(11)17-10/h1-3,7-8H,4-6H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50280624 (6-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2ccc(Cl)cc12 Show InChI InChI=1S/C14H13ClN2/c15-9-3-4-11-10(6-9)13(16)12-7-1-2-8(5-7)14(12)17-11/h3-4,6-8H,1-2,5H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro for inhibition of purified bovine trypsin.				Bioorg Med Chem Lett 9: 815-20 (1999) BindingDB Entry DOI: 10.7270/Q29G5M0K
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The compound was evaluated to inhibit trypsinand is expressed in IC50 (The concentration required to inhibit 50% of the enzyme).				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Trypsin.				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50280625 (7-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12 Show InChI InChI=1S/C14H13ClN2/c15-9-3-4-10-11(6-9)17-14-8-2-1-7(5-8)12(14)13(10)16/h3-4,6-8H,1-2,5H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50060470 (10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...) Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12 Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50280623 (5-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2c(Cl)cccc12 Show InChI InChI=1S/C13H13ClN2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h3,5-6H,1-2,4,7H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8986 (7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...) Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50280627 (5-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cccc(Cl)c12 Show InChI InChI=1S/C14H13ClN2/c15-9-2-1-3-10-12(9)13(16)11-7-4-5-8(6-7)14(11)17-10/h1-3,7-8H,4-6H2,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50280623 (5-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2c(Cl)cccc12 Show InChI InChI=1S/C13H13ClN2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h3,5-6H,1-2,4,7H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
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	46	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in rat red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50280623 (5-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2c(Cl)cccc12 Show InChI InChI=1S/C13H13ClN2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h3,5-6H,1-2,4,7H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in monkey red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50280624 (6-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2ccc(Cl)cc12 Show InChI InChI=1S/C14H13ClN2/c15-9-3-4-11-10(6-9)13(16)12-7-1-2-8(5-7)14(12)17-11/h3-4,6-8H,1-2,5H2,(H2,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in human red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50280626 (8-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2c(Cl)cccc12 Show InChI InChI=1S/C14H13ClN2/c15-10-3-1-2-9-12(16)11-7-4-5-8(6-7)13(11)17-14(9)10/h1-3,7-8H,4-6H2,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against C1s serine protease .				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in mouse red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063701 (2-(2-Iodo-phenylamino)-naphtho[2,3-d][1,3]oxazin-4...) Show SMILES Ic1ccccc1Nc1nc2cc3ccccc3cc2c(=O)o1 Show InChI InChI=1S/C18H11IN2O2/c19-14-7-3-4-8-15(14)20-18-21-16-10-12-6-2-1-5-11(12)9-13(16)17(22)23-18/h1-10H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50280626 (8-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2c(Cl)cccc12 Show InChI InChI=1S/C14H13ClN2/c15-10-3-1-2-9-12(16)11-7-4-5-8(6-7)13(11)17-14(9)10/h1-3,7-8H,4-6H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against plasmin.				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Thrombin.				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in rat red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated in vitro for inhibitory activity against purified human C1r protease protease				Bioorg Med Chem Lett 9: 815-20 (1999) BindingDB Entry DOI: 10.7270/Q29G5M0K
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063726 (7-Chloro-2-(2,6-dichloro-phenylamino)-benzo[d][1,3...) Show SMILES Clc1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O Show InChI InChI=1S/C14H7Cl3N2O2/c15-7-4-5-8-11(6-7)18-14(21-13(8)20)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50052410 (9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...) Show SMILES Nc1c2CCCC(O)c2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	411	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in rat red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair

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