Compile Data Set for Download or QSAR

Found 490 hits with Last Name = 'sova' 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389383 (CHEMBL2064464) Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1 Show InChI InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389383 (CHEMBL2064464) Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1 Show InChI InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468733 (CHEMBL4294570) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccc(O)c2n1 Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389382 (CHEMBL2064465) Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1 Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50468736 (CHEMBL4283585) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccnc2c1O Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-12-11-22-10-5-13-30-27(22)28(26)34)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467697 (CHEMBL4277981) Show SMILES CSc1nc(Nc2cc(O)ccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H17Cl2N5OS/c1-29-20-25-18(24-17-9-13(28)7-8-15(17)21)14-10-23-27(19(14)26-20)11-16(22)12-5-3-2-4-6-12/h2-10,16,28H,11H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467700 (CHEMBL4286927) Show SMILES Oc1ccc(Cl)c(Nc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1 Show InChI InChI=1S/C25H26Cl2N6O2S/c26-20-7-6-18(34)14-22(20)29-23-19-15-28-33(16-21(27)17-4-2-1-3-5-17)24(19)31-25(30-23)36-13-10-32-8-11-35-12-9-32/h1-7,14-15,21,34H,8-13,16H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389382 (CHEMBL2064465) Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1 Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389380 (CHEMBL2064468) Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1 Show InChI InChI=1S/C29H45N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h5,7,12,14,24H,2-4,6,8-11,13,15-23H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389381 (CHEMBL2064466) Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1 Show InChI InChI=1S/C29H37N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h2-5,7,9-11,13H,6,8,12,14-22H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389384 (CHEMBL2064404) Show SMILES O=C(CCN1CCCCC1)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C27H39N5O/c33-26(12-16-30-14-6-1-7-15-30)32-20-18-31(19-21-32)17-13-28-27-22-8-2-4-10-24(22)29-25-11-5-3-9-23(25)27/h2,4,8,10H,1,3,5-7,9,11-21H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467698 (CHEMBL4286320) Show SMILES Oc1ccc(Cl)c(Nc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 Show InChI InChI=1S/C19H15Cl2N5O/c20-15-7-6-13(27)8-17(15)25-18-14-9-24-26(19(14)23-11-22-18)10-16(21)12-4-2-1-3-5-12/h1-9,11,16,27H,10H2,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467694 (CHEMBL4294817) Show SMILES CC(Cn1ncc2c(Nc3cc(O)ccc3Cl)nc(NCCO)nc12)c1ccccc1 Show InChI InChI=1S/C22H23ClN6O2/c1-14(15-5-3-2-4-6-15)13-29-21-17(12-25-29)20(27-22(28-21)24-9-10-30)26-19-11-16(31)7-8-18(19)23/h2-8,11-12,14,30-31H,9-10,13H2,1H3,(H2,24,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389379 (CHEMBL2064470) Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1 Show InChI InChI=1S/C29H39N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h2-5,7,10-12,14H,6,8-9,13,15-23H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467696 (CHEMBL4291408) Show SMILES CC(Cn1ncc2c(Nc3cc(O)ccc3Cl)nc(NCCN)nc12)c1ccccc1 Show InChI InChI=1S/C22H24ClN7O/c1-14(15-5-3-2-4-6-15)13-30-21-17(12-26-30)20(28-22(29-21)25-10-9-24)27-19-11-16(31)7-8-18(19)23/h2-8,11-12,14,31H,9-10,13,24H2,1H3,(H2,25,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354485 (CHEMBL412298) Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of wild type Abl (unknown origin)				Eur J Med Chem 123: 1-13 (2016) Article DOI: 10.1016/j.ejmech.2016.07.034 BindingDB Entry DOI: 10.7270/Q2ZP484T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389380 (CHEMBL2064468) Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1 Show InChI InChI=1S/C29H45N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h5,7,12,14,24H,2-4,6,8-11,13,15-23H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467699 (CHEMBL4278410) Show SMILES CSc1nc(Nc2cc(O)ccc2Cl)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5OS/c1-13(14-6-4-3-5-7-14)12-27-20-16(11-23-27)19(25-21(26-20)29-2)24-18-10-15(28)8-9-17(18)22/h3-11,13,28H,12H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467693 (CHEMBL4288646) Show SMILES CC(Cn1ncc2c(Nc3cc(O)ccc3Cl)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H29ClN6O2S/c1-18(19-5-3-2-4-6-19)17-33-25-21(16-28-33)24(29-23-15-20(34)7-8-22(23)27)30-26(31-25)36-14-11-32-9-12-35-13-10-32/h2-8,15-16,18,34H,9-14,17H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467695 (CHEMBL4283564) Show SMILES OCCNc1nc(Nc2cc(O)ccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20Cl2N6O2/c22-16-7-6-14(31)10-18(16)26-19-15-11-25-29(12-17(23)13-4-2-1-3-5-13)20(15)28-21(27-19)24-8-9-30/h1-7,10-11,17,30-31H,8-9,12H2,(H2,24,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389384 (CHEMBL2064404) Show SMILES O=C(CCN1CCCCC1)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C27H39N5O/c33-26(12-16-30-14-6-1-7-15-30)32-20-18-31(19-21-32)17-13-28-27-22-8-2-4-10-24(22)29-25-11-5-3-9-23(25)27/h2,4,8,10H,1,3,5-7,9,11-21H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389379 (CHEMBL2064470) Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1 Show InChI InChI=1S/C29H39N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h2-5,7,10-12,14H,6,8-9,13,15-23H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50389381 (CHEMBL2064466) Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1 Show InChI InChI=1S/C29H37N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h2-5,7,9-11,13H,6,8,12,14-22H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12 Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate by double reciprocal plot analysis				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					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	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50515526 (CHEMBL4452230) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(CO)cc3)c12 Show InChI InChI=1S/C20H18ClN5O/c21-16(14-4-2-1-3-5-14)10-26-20-17(19(22)23-12-24-20)18(25-26)15-8-6-13(11-27)7-9-15/h1-9,12,16,27H,10-11H2,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His6 tagged human FYN expressed in baculovirus infected sf21 cells using KVEKIGEGTYGVVYK as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.048 BindingDB Entry DOI: 10.7270/Q2B85CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467703 (CHEMBL4281871) Show SMILES CC(Cn1ncc2c(Nc3cc(O)ccc3Cl)ncnc12)c1ccccc1 Show InChI InChI=1S/C20H18ClN5O/c1-13(14-5-3-2-4-6-14)11-26-20-16(10-24-26)19(22-12-23-20)25-18-9-15(27)7-8-17(18)21/h2-10,12-13,27H,11H2,1H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089575 (CHEMBL3578214) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H15Cl2N5/c20-14-8-6-13(7-9-14)17-16-18(22)23-11-24-19(16)26(25-17)10-15(21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His6 tagged human FYN expressed in baculovirus infected sf21 cells using KVEKIGEGTYGVVYK as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.048 BindingDB Entry DOI: 10.7270/Q2B85CHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50515526 (CHEMBL4452230) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(CO)cc3)c12 Show InChI InChI=1S/C20H18ClN5O/c21-16(14-4-2-1-3-5-14)10-26-20-17(19(22)23-12-24-20)18(25-26)15-8-6-13(11-27)7-9-15/h1-9,12,16,27H,10-11H2,(H2,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of BLK (unknown origin) using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]ATP as substrate in presence of [gamma33P]ATP by scint...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.048 BindingDB Entry DOI: 10.7270/Q2B85CHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50515526 (CHEMBL4452230) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(CO)cc3)c12 Show InChI InChI=1S/C20H18ClN5O/c21-16(14-4-2-1-3-5-14)10-26-20-17(19(22)23-12-24-20)18(25-26)15-8-6-13(11-27)7-9-15/h1-9,12,16,27H,10-11H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of LYN (unknown origin) using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]ATP as substrate in presence of [gamma33P]ATP by scint...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.048 BindingDB Entry DOI: 10.7270/Q2B85CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467702 (CHEMBL4283149) Show SMILES Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1 Show InChI InChI=1S/C25H27ClN6O2S/c26-22(18-5-2-1-3-6-18)17-32-24-21(16-27-32)23(28-19-7-4-8-20(33)15-19)29-25(30-24)35-14-11-31-9-12-34-13-10-31/h1-8,15-16,22,33H,9-14,17H2,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50089575 (CHEMBL3578214) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H15Cl2N5/c20-14-8-6-13(7-9-14)17-16-18(22)23-11-24-19(16)26(25-17)10-15(21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of BLK (unknown origin) using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]ATP as substrate in presence of [gamma33P]ATP by scint...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.048 BindingDB Entry DOI: 10.7270/Q2B85CHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50089575 (CHEMBL3578214) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H15Cl2N5/c20-14-8-6-13(7-9-14)17-16-18(22)23-11-24-19(16)26(25-17)10-15(21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of LYN (unknown origin) using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]ATP as substrate in presence of [gamma33P]ATP by scint...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.048 BindingDB Entry DOI: 10.7270/Q2B85CHN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
P. J. Safarik University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...				Eur J Med Chem 55: 23-31 (2012) Article DOI: 10.1016/j.ejmech.2012.06.051 BindingDB Entry DOI: 10.7270/Q2HH6M4Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50506401 (CHEMBL4450588) Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1 Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467701 (CHEMBL4290337) Show SMILES CC(Cn1ncc2c(Nc3cccc(O)c3)nc(NCCO)nc12)c1ccccc1 Show InChI InChI=1S/C22H24N6O2/c1-15(16-6-3-2-4-7-16)14-28-21-19(13-24-28)20(26-22(27-21)23-10-11-29)25-17-8-5-9-18(30)12-17/h2-9,12-13,15,29-30H,10-11,14H2,1H3,(H2,23,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142882 (Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl...) Show SMILES CCCCNc1nc(SCC)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C19H24ClN5S/c1-3-5-11-21-17-15-12-22-25(18(15)24-19(23-17)26-4-2)13-16(20)14-9-7-6-8-10-14/h6-10,12,16H,3-5,11,13H2,1-2H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of recombinant wild type c-ABL (unknown origin) after 5 mins by scintillation counting analysis in presence of [gamma32P]ATP				ACS Med Chem Lett 4: 622-6 (2013) Article DOI: 10.1021/ml4000782 BindingDB Entry DOI: 10.7270/Q2PG1T4R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230317 (CHEMBL4091022) Show SMILES CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1 Show InChI InChI=1S/C21H19FN4S/c1-27-21-24-19(23-13-15-5-3-2-4-6-15)18-11-12-26(20(18)25-21)14-16-7-9-17(22)10-8-16/h2-12H,13-14H2,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...				Eur J Med Chem 127: 369-378 (2017) Article DOI: 10.1016/j.ejmech.2016.12.036 BindingDB Entry DOI: 10.7270/Q2959KTB
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230313 (CHEMBL4068876) Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2ccn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H18Cl2N4S/c1-28-21-25-19(24-16-9-5-8-15(22)12-16)17-10-11-27(20(17)26-21)13-18(23)14-6-3-2-4-7-14/h2-12,18H,13H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...				Eur J Med Chem 127: 369-378 (2017) Article DOI: 10.1016/j.ejmech.2016.12.036 BindingDB Entry DOI: 10.7270/Q2959KTB
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230311 (CHEMBL4063136) Show SMILES CSc1nc(NCCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1 Show InChI InChI=1S/C22H21FN4S/c1-28-22-25-20(24-13-11-16-5-3-2-4-6-16)19-12-14-27(21(19)26-22)15-17-7-9-18(23)10-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...				Eur J Med Chem 127: 369-378 (2017) Article DOI: 10.1016/j.ejmech.2016.12.036 BindingDB Entry DOI: 10.7270/Q2959KTB
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50467704 (CHEMBL4293733) Show SMILES CSc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C21H21N5OS/c1-14(15-7-4-3-5-8-15)13-26-20-18(12-22-26)19(24-21(25-20)28-2)23-16-9-6-10-17(27)11-16/h3-12,14,27H,13H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method				Bioorg Med Chem Lett 28: 3454-3457 (2018) Article DOI: 10.1016/j.bmcl.2018.09.024 BindingDB Entry DOI: 10.7270/Q2HT2S18
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50506401 (CHEMBL4450588) Show SMILES Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1 Show InChI InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354489 (CHEMBL1836680) Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of recombinant wild type c-ABL (unknown origin) after 5 mins by scintillation counting analysis in presence of [gamma32P]ATP				ACS Med Chem Lett 4: 622-6 (2013) Article DOI: 10.1021/ml4000782 BindingDB Entry DOI: 10.7270/Q2PG1T4R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506400 (CHEMBL4458212) Show SMILES FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C17H18F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506402 (CHEMBL4558431) Show SMILES CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C19H27N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h1,7-10,16,18H,5-6,11-15H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50506394 (CHEMBL4576799) Show SMILES Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1 Show InChI InChI=1S/C16H18FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins ...				J Med Chem 63: 1361-1387 (2020) Article DOI: 10.1021/acs.jmedchem.9b01886 BindingDB Entry DOI: 10.7270/Q2X92FKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230318 (CHEMBL4103914) Show SMILES CSc1nc(Nc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H19ClN4S/c1-27-21-24-19(23-16-10-6-3-7-11-16)17-12-13-26(20(17)25-21)14-18(22)15-8-4-2-5-9-15/h2-13,18H,14H2,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...				Eur J Med Chem 127: 369-378 (2017) Article DOI: 10.1016/j.ejmech.2016.12.036 BindingDB Entry DOI: 10.7270/Q2959KTB
					More data for this Ligand-Target Pair

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