Compile Data Set for Download or QSAR

Found 669 hits with Last Name = 'merritt' and Initial = 'a'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345738 (1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...) Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345738 (1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...) Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345742 (1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...) Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345740 (3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345735 (1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...) Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345739 (1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345739 (1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345740 (3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345742 (1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...) Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50180753 ((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383376 (CHEMBL2030558 | CHEMBL2069945 | US10544104, Compou...) Show SMILES COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383379 (CHEMBL2030552 | CHEMBL2069958 | US9518026, Example...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12 Show InChI InChI=1S/C21H22N6/c22-20-18-19(17-6-5-15-3-1-2-4-16(15)11-17)26-27(21(18)25-13-24-20)12-14-7-9-23-10-8-14/h1-6,11,13-14,23H,7-10,12H2,(H2,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383375 (CHEMBL2030559 | CHEMBL2069937 | US10544104, Compou...) Show SMILES Nc1ncnc2n(CC3CCNCC3)ncc12 Show InChI InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383378 (CHEMBL2030561) Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383378 (CHEMBL2030561) Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383377 (CHEMBL2030560 | US10544104, Compound 92 | US976503...) Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383377 (CHEMBL2030560 | US10544104, Compound 92 | US976503...) Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50180753 ((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383376 (CHEMBL2030558 | CHEMBL2069945 | US10544104, Compou...) Show SMILES COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383375 (CHEMBL2030559 | CHEMBL2069937 | US10544104, Compou...) Show SMILES Nc1ncnc2n(CC3CCNCC3)ncc12 Show InChI InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383383 (CHEMBL2030557 | CHEMBL2069949) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cc4c(Cl)cccc4[nH]3)c12 Show InChI InChI=1S/C19H20ClN7/c20-13-2-1-3-14-12(13)8-15(25-14)17-16-18(21)23-10-24-19(16)27(26-17)9-11-4-6-22-7-5-11/h1-3,8,10-11,22,25H,4-7,9H2,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383380 (CHEMBL2030553 | CHEMBL2070047 | US10544104, Compou...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383374 (CHEMBL2030555 | CHEMBL2069960 | US10544104, Compou...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12 Show InChI InChI=1S/C20H21N7/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383381 (CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383374 (CHEMBL2030555 | CHEMBL2069960 | US10544104, Compou...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12 Show InChI InChI=1S/C20H21N7/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383380 (CHEMBL2030553 | CHEMBL2070047 | US10544104, Compou...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383381 (CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50467114 (CHEMBL4285682) Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)C2CCNCC2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H33FN6S/c1-37-18-13-23(14-19-37)29-36-27(22-2-6-24(31)7-3-22)28(38-29)26-12-17-33-30(35-26)34-25-8-4-20(5-9-25)21-10-15-32-16-11-21/h2-9,12,17,21,23,32H,10-11,13-16,18-19H2,1H3,(H,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
LifeArc Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum protein kinase G				Bioorg Med Chem Lett 28: 3168-3173 (2018) Article DOI: 10.1016/j.bmcl.2018.08.028 BindingDB Entry DOI: 10.7270/Q21Z473B
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50467117 (CHEMBL4288816) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)C1CCNCC1 Show InChI InChI=1S/C28H30FN7S/c29-21-3-1-19(2-4-21)25-26(37-27(35-25)20-9-12-30-13-10-20)24-11-14-32-28(34-24)33-22-5-7-23(8-6-22)36-17-15-31-16-18-36/h1-8,11,14,20,30-31H,9-10,12-13,15-18H2,(H,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
LifeArc Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum protein kinase G				Bioorg Med Chem Lett 28: 3168-3173 (2018) Article DOI: 10.1016/j.bmcl.2018.08.028 BindingDB Entry DOI: 10.7270/Q21Z473B
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50467123 (CHEMBL4288103) Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H32FN7S/c1-36-16-11-21(12-17-36)28-35-26(20-2-4-22(30)5-3-20)27(38-28)25-10-13-32-29(34-25)33-23-6-8-24(9-7-23)37-18-14-31-15-19-37/h2-10,13,21,31H,11-12,14-19H2,1H3,(H,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
LifeArc Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum protein kinase G				Bioorg Med Chem Lett 28: 3168-3173 (2018) Article DOI: 10.1016/j.bmcl.2018.08.028 BindingDB Entry DOI: 10.7270/Q21Z473B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416551 (US10307425, Example 17 | US10632122, Example 17) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C21H23N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19-18-20(22)23-12-24-21(18)26(25-19)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416560 (US10307425, Example 26 | US10632122, Example 26) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H25N5O2/c1-23(2,12-29)11-28-22-19(21(24)25-13-26-22)20(27-28)16-4-3-15-10-18(30-17-7-8-17)6-5-14(15)9-16/h3-6,9-10,13,17,29H,7-8,11-12H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50467126 (CHEMBL4286880) Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C30H35N7O2S2/c1-36-16-11-21(12-17-36)29-35-27(22-4-3-5-25(20-22)41(2,38)39)28(40-29)26-10-13-32-30(34-26)33-23-6-8-24(9-7-23)37-18-14-31-15-19-37/h3-10,13,20-21,31H,11-12,14-19H2,1-2H3,(H,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
LifeArc Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum protein kinase G				Bioorg Med Chem Lett 28: 3168-3173 (2018) Article DOI: 10.1016/j.bmcl.2018.08.028 BindingDB Entry DOI: 10.7270/Q21Z473B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4942 ((2R,3R,4S)-4-carbamimidamido-2-(diethylcarbamoyl)-...) Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C14H23N5O5/c1-4-19(5-2)12(21)11-10(17-7(3)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416558 (US10307425, Example 24 | US10632122, Example 24) Show SMILES CC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-dependent protein kinase (Plasmodium falciparum)	BDBM50467122 (CHEMBL4279865) Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H34FN7S/c1-36-15-12-22(13-16-36)29-35-27(21-3-5-23(31)6-4-21)28(39-29)26-11-14-32-30(34-26)33-24-7-9-25(10-8-24)38-19-17-37(2)18-20-38/h3-11,14,22H,12-13,15-20H2,1-2H3,(H,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
LifeArc Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum protein kinase G				Bioorg Med Chem Lett 28: 3168-3173 (2018) Article DOI: 10.1016/j.bmcl.2018.08.028 BindingDB Entry DOI: 10.7270/Q21Z473B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534390 (CHEMBL4455656) Show SMILES CC(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H23N5O/c1-13(2)11-27-22-19(21(23)24-12-25-22)20(26-27)16-4-3-15-10-18(28-17-7-8-17)6-5-14(15)9-16/h3-6,9-10,12-13,17H,7-8,11H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416552 (US10307425, Example 18 | US10632122, Example 18) Show SMILES CC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H22N6O/c1-12(2)10-27-21-18(20(22)23-11-24-21)19(26-27)14-3-7-16-13(9-14)4-8-17(25-16)28-15-5-6-15/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3,(H2,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416553 (US10307425, Example 19 | US10632122, Example 19) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2/c1-22(2,11-29)10-28-21-18(20(23)24-12-25-21)19(27-28)14-3-7-16-13(9-14)4-8-17(26-16)30-15-5-6-15/h3-4,7-9,12,15,29H,5-6,10-11H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416538 (US10307425, Example 4 | US10632122, Example 4) Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534383 (CHEMBL4517731) Show SMILES CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H27N7O/c1-30-10-8-15(9-11-30)13-31-24-21(23(25)26-14-27-24)22(29-31)17-2-6-19-16(12-17)3-7-20(28-19)32-18-4-5-18/h2-3,6-7,12,14-15,18H,4-5,8-11,13H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416554 (US10307425, Example 20 | US10632122, Example 20) Show SMILES CC1(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1 Show InChI InChI=1S/C22H22N6O2/c1-22(10-29-11-22)9-28-21-18(20(23)24-12-25-21)19(27-28)14-2-6-16-13(8-14)3-7-17(26-16)30-15-4-5-15/h2-3,6-8,12,15H,4-5,9-11H2,1H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416556 (US10307425, Example 22 | US10632122, Example 22) Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12 Show InChI InChI=1S/C23H24N6O2/c24-22-20-21(28-29(23(20)26-13-25-22)12-14-7-9-30-10-8-14)16-1-5-18-15(11-16)2-6-19(27-18)31-17-3-4-17/h1-2,5-6,11,13-14,17H,3-4,7-10,12H2,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4972 ((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(3-phenylphen...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(c1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H31N3O5/c1-3-13-29(14-12-18-8-7-11-20(15-18)19-9-5-4-6-10-19)25(31)24-23(28-17(2)30)21(27)16-22(34-24)26(32)33/h4-11,15-16,21,23-24H,3,12-14,27H2,1-2H3,(H,28,30)(H,32,33)/t21-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4967 ((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(4-phenylphen...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H31N3O5/c1-3-14-29(15-13-18-9-11-20(12-10-18)19-7-5-4-6-8-19)25(31)24-23(28-17(2)30)21(27)16-22(34-24)26(32)33/h4-12,16,21,23-24H,3,13-15,27H2,1-2H3,(H,28,30)(H,32,33)/t21-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4945 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4940 ((2R,3R,4S)-4-carbamimidamido-2-(dipropylcarbamoyl)...) Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6] |r,c:3| Show InChI InChI=1S/C16H27N5O5/c1-4-6-21(7-5-2)14(23)13-12(19-9(3)22)10(20-16(17)18)8-11(26-13)15(24)25/h8,10,12-13H,4-7H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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