Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'freiberg' and Initial = 'gm'   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506950 (CHEMBL4434688) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(22-4-3-5-24(16-22)33-2)30-27(32)25-7-6-23(21-8-12-29-13-9-21)17-26(25)31-14-10-20(18-28)11-15-31/h3-9,12-13,16-17,19-20H,10-11,14-15,18,28H2,1-2H3,(H,30,32)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506946 (CHEMBL4472858) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r| Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-18(12-17)26-2)24-21(25)16-8-6-15(7-9-16)19-10-11-23-13-20(19)22/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of PKG1A (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506950 (CHEMBL4434688) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(22-4-3-5-24(16-22)33-2)30-27(32)25-7-6-23(21-8-12-29-13-9-21)17-26(25)31-14-10-20(18-28)11-15-31/h3-9,12-13,16-17,19-20H,10-11,14-15,18,28H2,1-2H3,(H,30,32)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506954 (CHEMBL4583341) Show SMILES COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506933 (CHEMBL4536833) Show SMILES Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148750 (CHEMBL3770299 | US9518026, Example 71 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1 Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-4-8-14-11(10-12)5-9-15(23-14)27-13-6-7-13/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148728 (CHEMBL3770425 | US9518026, Example 65 | US9956214,...) Show SMILES COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148731 (CHEMBL3771242 | US9518026, Example 68 | US9956214,...) Show SMILES CCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H25N5O2/c1-5-8-27-14-7-6-12-9-13(11-23-15(12)10-14)17-16(19(22)26)18(21)25(24-17)20(2,3)4/h6-7,9-11H,5,8,21H2,1-4H3,(H2,22,26)	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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148641 (CHEMBL3770649 | US9518026, Example 49 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C22H27N5O2/c1-2-29-17-10-9-14-11-15(13-25-18(14)12-17)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148649 (CHEMBL3771306 | US9518026, Example 55 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H23N5O2/c1-5-26-14-9-7-11-10-12(6-8-13(11)22-14)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	CHEMBL PC cid PC sid UniChem Patents Similars	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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506925 (CHEMBL4469316) Show SMILES COc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C22H22N2O3/c1-27-20-4-2-3-19(15-20)21(11-14-25)24-22(26)18-7-5-16(6-8-18)17-9-12-23-13-10-17/h2-10,12-13,15,21,25H,11,14H2,1H3,(H,24,26)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148723 (CHEMBL3769459 | US9518026, Example 60 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1 Show InChI InChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148650 (CHEMBL3770142 | US9518026, Example 103 | US9956214...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148722 (CHEMBL3770980 | US9518026, Example 59 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O Show InChI InChI=1S/C20H25N5O3/c1-4-28-15-8-6-12-9-13(5-7-14(12)23-15)17-16(19(22)27)18(21)25(24-17)10-20(2,3)11-26/h5-9,26H,4,10-11,21H2,1-3H3,(H2,22,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148751 (CHEMBL3769798 | US9518026, Example 72 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1 Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-9-12-7-8-15(10-16(12)24-11-13)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148651 (CHEMBL3771134 | US9518026, Example 56 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O Show InChI InChI=1S/C19H21N5O2/c1-2-26-15-8-6-12-9-13(5-7-14(12)22-15)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506939 (CHEMBL4459077) Show SMILES O=C(N[C@H](CCN1CCCC1)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C25H27N3O/c29-25(23-10-8-20(9-11-23)21-12-15-26-16-13-21)27-24(22-6-2-1-3-7-22)14-19-28-17-4-5-18-28/h1-3,6-13,15-16,24H,4-5,14,17-19H2,(H,27,29)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148639 (CHEMBL3770760 | US9518026, Example 47 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148749 (CHEMBL3770313 | US9518026, Example 70 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1 Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-8-11-4-5-14(27-13-6-7-13)9-15(11)23-10-12/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506946 (CHEMBL4472858) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r| Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-18(12-17)26-2)24-21(25)16-8-6-15(7-9-16)19-10-11-23-13-20(19)22/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239647 (CHEMBL4092595) Show SMILES [2H]C([2H])([2H])c1[nH]nc2OC(N)=C(C#N)C(C(C)C)(c12)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |t:10| Show InChI InChI=1S/C24H24F3N5O3S2/c1-12(2)23(17(11-28)21(29)35-22-20(23)13(3)30-31-22)15-8-14(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(4)5/h6-10,12H,29H2,1-5H3,(H,30,31)/i3D3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148648 (CHEMBL3770743 | US9518026, Example 54 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O Show InChI InChI=1S/C20H25N5O3/c1-4-28-14-6-5-12-7-13(9-23-15(12)8-14)17-16(19(22)27)18(21)25(24-17)10-20(2,3)11-26/h5-9,26H,4,10-11,21H2,1-3H3,(H2,22,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148638 (CHEMBL3769623 | US9518026, Example 46 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C20H23N5O2/c1-2-27-15-8-7-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-3-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148636 (CHEMBL3769685 | US9518026, Example 45 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCC2)c(N)c1C(N)=O Show InChI InChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506945 (CHEMBL4474946) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r| Show InChI InChI=1S/C21H21N3O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H2,22,23)(H,24,25)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506929 (CHEMBL4553926) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCN)-c1ccncc1 |r| Show InChI InChI=1S/C24H28N4O2/c1-17(19-5-3-6-21(15-19)30-2)28-24(29)22-8-7-20(18-9-13-26-14-10-18)16-23(22)27-12-4-11-25/h3,5-10,13-17,27H,4,11-12,25H2,1-2H3,(H,28,29)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148752 (CHEMBL3769990 | US9518026, Example 73 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1 Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148634 (CHEMBL3769900 | US9518026, Example 43 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O Show InChI InChI=1S/C17H16F3N5O2/c1-2-27-11-4-3-9-5-10(7-23-12(9)6-11)14-13(16(22)26)15(21)25(24-14)8-17(18,19)20/h3-7H,2,8,21H2,1H3,(H2,22,26)	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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506954 (CHEMBL4583341) Show SMILES COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506921 (CHEMBL4459800) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506931 (CHEMBL4465725) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@@H](CN)C1)-c1ccncn1 |r| Show InChI InChI=1S/C26H31N5O2/c1-18(20-6-3-7-22(13-20)33-2)30-26(32)23-9-8-21(24-10-11-28-17-29-24)14-25(23)31-12-4-5-19(15-27)16-31/h3,6-11,13-14,17-19H,4-5,12,15-16,27H2,1-2H3,(H,30,32)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506928 (CHEMBL4469434) Show SMILES CCCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C23H24N2O2/c1-3-15-27-22-6-4-5-21(16-22)17(2)25-23(26)20-9-7-18(8-10-20)19-11-13-24-14-12-19/h4-14,16-17H,3,15H2,1-2H3,(H,25,26)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148635 (CHEMBL3769940 | US9518026, Example 44 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC2CC2)c(N)c1C(N)=O Show InChI InChI=1S/C19H21N5O2/c1-2-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148726 (CHEMBL3770632 | US9518026, Example 63 | US9956214,...) Show SMILES Cc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C18H21N5O/c1-10-5-6-11-8-12(9-21-13(11)7-10)15-14(17(20)24)16(19)23(22-15)18(2,3)4/h5-9H,19H2,1-4H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148737 (CHEMBL3770076 | US9518026, Example 69 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OCC3CC3)ccc2c1 Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)14-8-13-6-7-15(9-16(13)24-10-14)28-11-12-4-5-12/h6-10,12H,4-5,11,22H2,1-3H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148730 (CHEMBL3770546 | US9518026, Example 67 | US9956214,...) Show SMILES CC(C)Oc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H25N5O2/c1-11(2)27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)20(3,4)5/h6-11H,21H2,1-5H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148653 (CHEMBL3771104 | US9518026, Example 58 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C22H27N5O2/c1-2-29-18-12-10-14-13-15(9-11-17(14)25-18)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239671 (CHEMBL4063186) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:13| Show InChI InChI=1S/C24H24F3N5O3S2/c1-12(2)23(17(11-28)21(29)35-22-20(23)13(3)30-31-22)15-8-14(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(4)5/h6-10,12H,29H2,1-5H3,(H,30,31)	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
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506933 (CHEMBL4536833) Show SMILES Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506951 (CHEMBL4557041) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@H](CN)C1)-c1ccncn1 |r| Show InChI InChI=1S/C26H31N5O2/c1-18(20-6-3-7-22(13-20)33-2)30-26(32)23-9-8-21(24-10-11-28-17-29-24)14-25(23)31-12-4-5-19(15-27)16-31/h3,6-11,13-14,17-19H,4-5,12,15-16,27H2,1-2H3,(H,30,32)/t18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148647 (CHEMBL3769570 | US9518026, Example 53 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O Show InChI InChI=1S/C19H23N5O3/c1-3-27-14-5-4-12-8-13(10-22-15(12)9-14)17-16(19(21)26)18(20)24(23-17)11(2)6-7-25/h4-5,8-11,25H,3,6-7,20H2,1-2H3,(H2,21,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506956 (CHEMBL4555093) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncc1 |r| Show InChI InChI=1S/C25H30N4O2/c1-18(20-6-5-7-22(16-20)31-2)29-25(30)23-9-8-21(19-10-14-27-15-11-19)17-24(23)28-13-4-3-12-26/h5-11,14-18,28H,3-4,12-13,26H2,1-2H3,(H,29,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 260 total )  |  Next  |  Last  >>

Jump to: