Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'muller' and Initial = 'n'   

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
Serine protease 1 (Bos taurus (bovine))	BDBM33265 (guanidine, 5) Show SMILES [#6]-c1ccc(cc1)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-[#15](-[#8])-[#8] |w:8.9| Show InChI InChI=1S/C9H13N4O2P/c1-6-2-4-7(5-3-6)8(16(14)15)12-13-9(10)11/h2-5,14-15H,1H3,(H4,10,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	-31.2	n/a	n/a	n/a	n/a	n/a	7.6	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM33264 (guanidine, 4) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](=O)-[#7]-c2ccccc-12 |w:4.3| Show InChI InChI=1S/C9H9N5O/c10-9(11)14-13-7-5-3-1-2-4-6(5)12-8(7)15/h1-4H,(H4,10,11,14)(H,12,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.6	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33265 (guanidine, 5) Show SMILES [#6]-c1ccc(cc1)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-[#15](-[#8])-[#8] |w:8.9| Show InChI InChI=1S/C9H13N4O2P/c1-6-2-4-7(5-3-6)8(16(14)15)12-13-9(10)11/h2-5,14-15H,1H3,(H4,10,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	-27.7	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33265 (guanidine, 5) Show SMILES [#6]-c1ccc(cc1)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-[#15](-[#8])-[#8] |w:8.9| Show InChI InChI=1S/C9H13N4O2P/c1-6-2-4-7(5-3-6)8(16(14)15)12-13-9(10)11/h2-5,14-15H,1H3,(H4,10,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+4	-27.5	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33264 (guanidine, 4) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](=O)-[#7]-c2ccccc-12 |w:4.3| Show InChI InChI=1S/C9H9N5O/c10-9(11)14-13-7-5-3-1-2-4-6(5)12-8(7)15/h1-4H,(H4,10,11,14)(H,12,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+4	-27.2	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33264 (guanidine, 4) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](=O)-[#7]-c2ccccc-12 |w:4.3| Show InChI InChI=1S/C9H9N5O/c10-9(11)14-13-7-5-3-1-2-4-6(5)12-8(7)15/h1-4H,(H4,10,11,14)(H,12,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+4	-26.3	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33261 (biguanidine, 1) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:4.3,10.9| Show InChI InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+4	-25.3	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33261 (biguanidine, 1) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:4.3,10.9| Show InChI InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4.40E+4	-24.7	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM33262 (biguanidine, 3) Show SMILES [#7]-[#6](-[#7])-[#7]-[#7]-c1ccc(-[#7]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4,7,13-15H,9-10H2,(H4,11,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	5.10E+4	-24.3	n/a	n/a	n/a	n/a	n/a	7.6	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM33261 (biguanidine, 1) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:4.3,10.9| Show InChI InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	8.70E+4	-23.0	n/a	n/a	n/a	n/a	n/a	7.6	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM33260 (biguanidine, 2) Show SMILES [#7]-[#6](=[#7])-[#7]-[#7]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:4.3,6.5| Show InChI InChI=1S/C4H10N8/c5-3(6)11-9-1-2-10-12-4(7)8/h1-2H,(H4,5,6,11)(H4,7,8,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+5	-21.6	n/a	n/a	n/a	n/a	n/a	7.6	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33260 (biguanidine, 2) Show SMILES [#7]-[#6](=[#7])-[#7]-[#7]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:4.3,6.5| Show InChI InChI=1S/C4H10N8/c5-3(6)11-9-1-2-10-12-4(7)8/h1-2H,(H4,5,6,11)(H4,7,8,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.37E+5	-19.7	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33260 (biguanidine, 2) Show SMILES [#7]-[#6](=[#7])-[#7]-[#7]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:4.3,6.5| Show InChI InChI=1S/C4H10N8/c5-3(6)11-9-1-2-10-12-4(7)8/h1-2H,(H4,5,6,11)(H4,7,8,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.23E+5	-19.1	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33262 (biguanidine, 3) Show SMILES [#7]-[#6](-[#7])-[#7]-[#7]-c1ccc(-[#7]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4,7,13-15H,9-10H2,(H4,11,12,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.09E+6	-16.8	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM33260 (biguanidine, 2) Show SMILES [#7]-[#6](=[#7])-[#7]-[#7]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:4.3,6.5| Show InChI InChI=1S/C4H10N8/c5-3(6)11-9-1-2-10-12-4(7)8/h1-2H,(H4,5,6,11)(H4,7,8,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+6	-16.3	n/a	n/a	n/a	n/a	n/a	7.6	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33262 (biguanidine, 3) Show SMILES [#7]-[#6](-[#7])-[#7]-[#7]-c1ccc(-[#7]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4,7,13-15H,9-10H2,(H4,11,12,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.78E+6	-15.6	n/a	n/a	n/a	n/a	n/a	8.5	23
University of Alabama at Birmingham					Assay Description All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...				Bioorg Med Chem 13: 257-64 (2005) Article DOI: 10.1016/j.bmc.2004.09.036 BindingDB Entry DOI: 10.7270/Q2QV3JVQ
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313793 ((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313795 ((S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2...) Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C36H45F3N4O10S/c1-49-15-16-50-17-18-51-19-20-52-24-33(44)42-30-21-25(9-12-32(30)53-14-4-7-28-11-10-26-5-3-13-40-34(26)41-28)22-31(35(45)46)43-54(47,48)29-8-2-6-27(23-29)36(37,38)39/h2,6,8-12,21,23,31,43H,3-5,7,13-20,22,24H2,1H3,(H,40,41)(H,42,44)(H,45,46)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313794 ((S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami...) Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C41H56F3N5O12S/c42-41(43,44)32-5-1-7-34(28-32)62(53,54)49-36(40(51)52)27-30-8-11-37(61-14-3-6-33-10-9-31-4-2-13-46-39(31)47-33)35(26-30)48-38(50)29-60-25-24-59-23-22-58-21-20-57-19-18-56-17-16-55-15-12-45/h1,5,7-11,26,28,36,49H,2-4,6,12-25,27,29,45H2,(H,46,47)(H,48,50)(H,51,52)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345725 (3-(3,4-dichlorophenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C14H13Cl2N5/c1-7(2)21-14-11(13(17)18-6-19-14)12(20-21)8-3-4-9(15)10(16)5-8/h3-7H,1-2H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H19N5/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345731 (3-(4-fluoro-3-methylphenyl)-1-isopropyl-1H-pyrazol...) Show SMILES CC(C)n1nc(-c2ccc(F)c(C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16FN5/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345728 (1-isopropyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-...) Show SMILES CC(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345727 (1-isopropyl-3-(3-isopropylphenyl)-1H-pyrazolo[3,4-...) Show SMILES CC(C)c1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5/c1-10(2)12-6-5-7-13(8-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345712 (3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345745 (3-(chroman-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES CC(C)n1nc(-c2ccc3OCCCc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345723 (3-(4-chlorophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]p...) Show SMILES CC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345729 (1-isopropyl-3-m-tolyl-1H-pyrazolo[3,4-d]pyrimidin-...) Show SMILES CC(C)n1nc(-c2cccc(C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345724 (3-(3-chlorophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]p...) Show SMILES CC(C)n1nc(-c2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50298225 (CHEMBL2069955 | CHEMBL573578 | NM-PP1 | US10544104...) Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345717 (1-(1-ethylpiperidin-4-yl)-3-(naphthalen-1-ylmethyl...) Show SMILES CCN1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C23H26N6/c1-2-28-12-10-18(11-13-28)29-23-21(22(24)25-15-26-23)20(27-29)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,15,18H,2,10-14H2,1H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345733 (3-(3,4-dimethoxyphenyl)-1-isopropyl-1H-pyrazolo[3,...) Show SMILES COc1ccc(cc1OC)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C16H19N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-5-6-11(22-3)12(7-10)23-4/h5-9H,1-4H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345732 (1-isopropyl-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]...) Show SMILES COc1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345743 (3-(benzo[d][1,3]dioxol-5-yl)-1-isopropyl-1H-pyrazo...) Show SMILES CC(C)n1nc(-c2ccc3OCOc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N5O2/c1-8(2)20-15-12(14(16)17-6-18-15)13(19-20)9-3-4-10-11(5-9)22-7-21-10/h3-6,8H,7H2,1-2H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345726 (1-isopropyl-3-(4-isopropylphenyl)-1H-pyrazolo[3,4-...) Show SMILES CC(C)c1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5/c1-10(2)12-5-7-13(8-6-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345713 (3-(naphthalen-1-ylmethyl)-1-(2-(piperidin-4-yl)eth...) Show SMILES Nc1ncnc2n(CCC3CCNCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C23H26N6/c24-22-21-20(14-18-6-3-5-17-4-1-2-7-19(17)18)28-29(23(21)27-15-26-22)13-10-16-8-11-25-12-9-16/h1-7,15-16,25H,8-14H2,(H2,24,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345720 (1-(1-(methylsulfonyl)piperidin-4-yl)-3-(naphthalen...) Show SMILES CS(=O)(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2S/c1-31(29,30)27-11-9-17(10-12-27)28-22-20(21(23)24-14-25-22)19(26-28)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,14,17H,9-13H2,1H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345750 (1-isopropyl-3-(3-(methylthio)phenyl)-1H-pyrazolo[3...) Show SMILES CSc1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C15H17N5S/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-5-4-6-11(7-10)21-3/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345711 (3-(naphthalen-1-ylmethyl)-1-(piperidin-4-yl)-1H-py...) Show SMILES Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCNCC1 Show InChI InChI=1S/C21H22N6/c22-20-19-18(12-15-6-3-5-14-4-1-2-7-17(14)15)26-27(21(19)25-13-24-20)16-8-10-23-11-9-16/h1-7,13,16,23H,8-12H2,(H2,22,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345714 (1-(4-(4-amino-3-(naphthalen-1-ylmethyl)-1H-pyrazol...) Show SMILES CC(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C23H24N6O/c1-15(30)28-11-9-18(10-12-28)29-23-21(22(24)25-14-26-23)20(27-29)13-17-7-4-6-16-5-2-3-8-19(16)17/h2-8,14,18H,9-13H2,1H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345719 (1-(2-(1-ethylpiperidin-4-yl)ethyl)-3-(naphthalen-1...) Show SMILES CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C25H30N6/c1-2-30-13-10-18(11-14-30)12-15-31-25-23(24(26)27-17-28-25)22(29-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,17-18H,2,10-16H2,1H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345716 (1-(4-(2-(4-amino-3-(naphthalen-1-ylmethyl)-1H-pyra...) Show SMILES CC(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C25H28N6O/c1-17(32)30-12-9-18(10-13-30)11-14-31-25-23(24(26)27-16-28-25)22(29-31)15-20-7-4-6-19-5-2-3-8-21(19)20/h2-8,16,18H,9-15H2,1H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345722 (1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...) Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) Show SMILES CC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)

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