Compile Data Set for Download or QSAR

Found 622 hits with Last Name = 'khoobi' and Initial = 'm'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059510 (8-Methoxy-3-phenyl-1,2,3,4-tetrahydro-chromeno[3,4...) Show SMILES COc1ccc2c3CCN(Cc3c(=O)oc2c1)c1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-22-14-7-8-16-15-9-10-20(13-5-3-2-4-6-13)12-17(15)19(21)23-18(16)11-14/h2-8,11H,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052204 (CHEMBL3318392) Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059503 (8-Methoxy-3-pyridin-4-ylmethyl-1,2,3,4-tetrahydro-...) Show SMILES COc1ccc2c3CCN(Cc4ccncc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C19H18N2O3/c1-23-14-2-3-16-15-6-9-21(11-13-4-7-20-8-5-13)12-17(15)19(22)24-18(16)10-14/h2-5,7-8,10H,6,9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059507 (3-Benzyl-8-methoxy-1,2,3,4-tetrahydro-chromeno[3,4...) Show SMILES COc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H19NO3/c1-23-15-7-8-17-16-9-10-21(12-14-5-3-2-4-6-14)13-18(16)20(22)24-19(17)11-15/h2-8,11H,9-10,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059505 (3-(4-Chloro-benzyl)-8-hydroxy-1,2,3,4-tetrahydro-c...) Show SMILES Oc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C19H16ClNO3/c20-13-3-1-12(2-4-13)10-21-8-7-15-16-6-5-14(22)9-18(16)24-19(23)17(15)11-21/h1-6,9,22H,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059504 (8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059496 (3-Benzyl-8-methyl-1,2,3,4-tetrahydro-chromeno[3,4-...) Show SMILES Cc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H19NO2/c1-14-7-8-17-16-9-10-21(12-15-5-3-2-4-6-15)13-18(16)20(22)23-19(17)11-14/h2-8,11H,9-10,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059491 (3-(4-Fluoro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18FNO3/c1-24-15-6-7-17-16-8-9-22(11-13-2-4-14(21)5-3-13)12-18(16)20(23)25-19(17)10-15/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059492 (3-(4-Fluoro-benzyl)-8-methyl-1,2,3,4-tetrahydro-ch...) Show SMILES Cc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18FNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059497 (8-Methoxy-3-phenethyl-1,2,3,4-tetrahydro-chromeno[...) Show SMILES COc1ccc2c3CCN(CCc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H21NO3/c1-24-16-7-8-18-17-10-12-22(11-9-15-5-3-2-4-6-15)14-19(17)21(23)25-20(18)13-16/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059501 (8-Methoxy-3-(4-trifluoromethyl-benzyl)-1,2,3,4-tet...) Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)C(F)(F)F)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H18F3NO3/c1-27-15-6-7-17-16-8-9-25(12-18(16)20(26)28-19(17)10-15)11-13-2-4-14(5-3-13)21(22,23)24/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059493 (3-(4-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-15-6-7-17-16-8-9-22(11-13-2-4-14(21)5-3-13)12-18(16)20(23)25-19(17)10-15/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059499 (3-(4-Chloro-benzyl)-8-methyl-1,2,3,4-tetrahydro-ch...) Show SMILES Cc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457028 (CHEMBL4218303) Show SMILES COc1ccccc1C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C25H22N4O3/c1-32-19-13-7-5-11-17(19)22-20-21(26)16-10-4-6-12-18(16)27-23(20)29-25(31)15-9-3-2-8-14(15)24(30)28(22)29/h2-3,5,7-9,11,13,22H,4,6,10,12H2,1H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measur...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059494 (3-(3-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4cccc(Cl)c4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50440441 (CHEMBL2425846) Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(F)cc4)c12)c(=O)oc1ccccc31 Show InChI InChI=1S/C25H19FN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 68: 291-300 (2013) Article DOI: 10.1016/j.ejmech.2013.07.045 BindingDB Entry DOI: 10.7270/Q2794637
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059511 (3-(2-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccccc4Cl)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-14-6-7-16-15-8-9-22(11-13-4-2-3-5-18(13)21)12-17(15)20(23)25-19(16)10-14/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(3) dopamine receptor (Homo sapiens)	BDBM50059507 (3-Benzyl-8-methoxy-1,2,3,4-tetrahydro-chromeno[3,4...) Show SMILES COc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H19NO3/c1-23-15-7-8-17-16-9-10-21(12-14-5-3-2-4-6-14)13-18(16)20(22)24-19(17)11-15/h2-8,11H,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059498 (3-(3,4-Dichloro-benzyl)-8-methoxy-1,2,3,4-tetrahyd...) Show SMILES COc1ccc2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H17Cl2NO3/c1-25-13-3-4-15-14-6-7-23(10-12-2-5-17(21)18(22)8-12)11-16(14)20(24)26-19(15)9-13/h2-5,8-9H,6-7,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059503 (8-Methoxy-3-pyridin-4-ylmethyl-1,2,3,4-tetrahydro-...) Show SMILES COc1ccc2c3CCN(Cc4ccncc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C19H18N2O3/c1-23-14-2-3-16-15-6-9-21(11-13-4-7-20-8-5-13)12-17(15)19(22)24-18(16)10-14/h2-5,7-8,10H,6,9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059502 (8-Methoxy-3-(4-methoxy-benzyl)-1,2,3,4-tetrahydro-...) Show SMILES COc1ccc(CN2CCc3c(C2)c(=O)oc2cc(OC)ccc32)cc1 Show InChI InChI=1S/C21H21NO4/c1-24-15-5-3-14(4-6-15)12-22-10-9-17-18-8-7-16(25-2)11-20(18)26-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(3) dopamine receptor (Homo sapiens)	BDBM50059505 (3-(4-Chloro-benzyl)-8-hydroxy-1,2,3,4-tetrahydro-c...) Show SMILES Oc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C19H16ClNO3/c20-13-3-1-12(2-4-13)10-21-8-7-15-16-6-5-14(22)9-18(16)24-19(23)17(15)11-21/h1-6,9,22H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		317	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(3) dopamine receptor (Homo sapiens)	BDBM50059496 (3-Benzyl-8-methyl-1,2,3,4-tetrahydro-chromeno[3,4-...) Show SMILES Cc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H19NO2/c1-14-7-8-17-16-9-10-21(12-15-5-3-2-4-6-15)13-18(16)20(22)23-19(17)11-14/h2-8,11H,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		338	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059507 (3-Benzyl-8-methoxy-1,2,3,4-tetrahydro-chromeno[3,4...) Show SMILES COc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H19NO3/c1-23-15-7-8-17-16-9-10-21(12-14-5-3-2-4-6-14)13-18(16)20(22)24-19(17)11-15/h2-8,11H,9-10,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50038390 (CHEMBL3352904) Show SMILES COc1ccc(cc1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Lineweaver-Burk plot				Eur J Med Chem 89: 296-303 (2014) Article DOI: 10.1016/j.ejmech.2014.10.049 BindingDB Entry DOI: 10.7270/Q2T72K1Q
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50197934 (CHEMBL3889532) Show SMILES Fc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1 Show InChI InChI=1S/C27H21FN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Lineweaver-Burk plot analysis				Eur J Med Chem 121: 40-46 (2016) Article DOI: 10.1016/j.ejmech.2016.05.014 BindingDB Entry DOI: 10.7270/Q2XS5XBG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204859 (CHEMBL3939483) Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(F)cc3)c12)-c1ccccc1 Show InChI InChI=1S/C26H22FN3O/c27-18-12-10-15(11-13-18)21-22-20(14-17-8-4-5-9-19(17)24(22)28)31-26-23(21)25(29-30-26)16-6-2-1-3-7-16/h1-3,6-7,10-14,21H,4-5,8-9,28H2,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured f...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
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D(3) dopamine receptor (Homo sapiens)	BDBM50059504 (8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(3) dopamine receptor (Homo sapiens)	BDBM50059491 (3-(4-Fluoro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18FNO3/c1-24-15-6-7-17-16-8-9-22(11-13-2-4-14(21)5-3-13)12-18(16)20(23)25-19(17)10-15/h2-7,10H,8-9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		548	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(3) dopamine receptor (Homo sapiens)	BDBM50059497 (8-Methoxy-3-phenethyl-1,2,3,4-tetrahydro-chromeno[...) Show SMILES COc1ccc2c3CCN(CCc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H21NO3/c1-24-16-7-8-18-17-10-12-22(11-9-15-5-3-2-4-6-15)14-19(17)21(23)25-20(18)13-16/h2-8,13H,9-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		591	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059496 (3-Benzyl-8-methyl-1,2,3,4-tetrahydro-chromeno[3,4-...) Show SMILES Cc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H19NO2/c1-14-7-8-17-16-9-10-21(12-15-5-3-2-4-6-15)13-18(16)20(22)23-19(17)11-14/h2-8,11H,9-10,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		774	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(3) dopamine receptor (Homo sapiens)	BDBM50059501 (8-Methoxy-3-(4-trifluoromethyl-benzyl)-1,2,3,4-tet...) Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)C(F)(F)F)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H18F3NO3/c1-27-15-6-7-17-16-8-9-25(12-18(16)20(26)28-19(17)10-15)11-13-2-4-14(5-3-13)21(22,23)24/h2-7,10H,8-9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		966	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059499 (3-(4-Chloro-benzyl)-8-methyl-1,2,3,4-tetrahydro-ch...) Show SMILES Cc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059504 (8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50020730 (CHEMBL1469070) Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-20-8-6-18-7-9-23(27)29-21(18)14-20)24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweavere-Burk plot				Eur J Med Chem 82: 536-44 (2014) Article DOI: 10.1016/j.ejmech.2014.05.056 BindingDB Entry DOI: 10.7270/Q27D2WQV
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D(3) dopamine receptor (Homo sapiens)	BDBM50059492 (3-(4-Fluoro-benzyl)-8-methyl-1,2,3,4-tetrahydro-ch...) Show SMILES Cc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18FNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50059511 (3-(2-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccccc4Cl)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-14-6-7-16-15-8-9-22(11-13-4-2-3-5-18(13)21)12-17(15)20(23)25-19(16)10-14/h2-7,10H,8-9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50059494 (3-(3-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4cccc(Cl)c4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059505 (3-(4-Chloro-benzyl)-8-hydroxy-1,2,3,4-tetrahydro-c...) Show SMILES Oc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C19H16ClNO3/c20-13-3-1-12(2-4-13)10-21-8-7-15-16-6-5-14(22)9-18(16)24-19(23)17(15)11-21/h1-6,9,22H,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50059493 (3-(4-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-15-6-7-17-16-8-9-22(11-13-2-4-14(21)5-3-13)12-18(16)20(23)25-19(17)10-15/h2-7,10H,8-9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059510 (8-Methoxy-3-phenyl-1,2,3,4-tetrahydro-chromeno[3,4...) Show SMILES COc1ccc2c3CCN(Cc3c(=O)oc2c1)c1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-22-14-7-8-16-15-9-10-20(13-5-3-2-4-6-13)12-17(15)19(21)23-18(16)11-14/h2-8,11H,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059501 (8-Methoxy-3-(4-trifluoromethyl-benzyl)-1,2,3,4-tet...) Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)C(F)(F)F)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H18F3NO3/c1-27-15-6-7-17-16-8-9-25(12-18(16)20(26)28-19(17)10-15)11-13-2-4-14(5-3-13)21(22,23)24/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059494 (3-(3-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4cccc(Cl)c4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059493 (3-(4-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-15-6-7-17-16-8-9-22(11-13-2-4-14(21)5-3-13)12-18(16)20(23)25-19(17)10-15/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059498 (3-(3,4-Dichloro-benzyl)-8-methoxy-1,2,3,4-tetrahyd...) Show SMILES COc1ccc2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H17Cl2NO3/c1-25-13-3-4-15-14-6-7-23(10-12-2-5-17(21)18(22)8-12)11-16(14)20(24)26-19(15)9-13/h2-5,8-9H,6-7,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059492 (3-(4-Fluoro-benzyl)-8-methyl-1,2,3,4-tetrahydro-ch...) Show SMILES Cc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18FNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059511 (3-(2-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...) Show SMILES COc1ccc2c3CCN(Cc4ccccc4Cl)Cc3c(=O)oc2c1 Show InChI InChI=1S/C20H18ClNO3/c1-24-14-6-7-16-15-8-9-22(11-13-4-2-3-5-18(13)21)12-17(15)20(23)25-19(16)10-14/h2-7,10H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059503 (8-Methoxy-3-pyridin-4-ylmethyl-1,2,3,4-tetrahydro-...) Show SMILES COc1ccc2c3CCN(Cc4ccncc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C19H18N2O3/c1-23-14-2-3-16-15-6-9-21(11-13-4-7-20-8-5-13)12-17(15)19(22)24-18(16)10-14/h2-5,7-8,10H,6,9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059497 (8-Methoxy-3-phenethyl-1,2,3,4-tetrahydro-chromeno[...) Show SMILES COc1ccc2c3CCN(CCc4ccccc4)Cc3c(=O)oc2c1 Show InChI InChI=1S/C21H21NO3/c1-24-16-7-8-18-17-10-12-22(11-9-15-5-3-2-4-6-15)14-19(17)21(23)25-20(18)13-16/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059502 (8-Methoxy-3-(4-methoxy-benzyl)-1,2,3,4-tetrahydro-...) Show SMILES COc1ccc(CN2CCc3c(C2)c(=O)oc2cc(OC)ccc32)cc1 Show InChI InChI=1S/C21H21NO4/c1-24-15-5-3-14(4-6-15)12-22-10-9-17-18-8-7-16(25-2)11-20(18)26-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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