Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'lopez' and Initial = 'ms'   

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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250014 (CHEMBL2324597 | US11208411, Compound 3CIB-PP1) Show SMILES CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250017 (CHEMBL4102392 | US11208411, Compound GXJ177) Show SMILES CC(C)(C)n1nc(Oc2cccc(Br)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16BrN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50249997 (CHEMBL4078124 | US11208411, Compound GXJ230) Show SMILES COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1 Show InChI InChI=1S/C16H19N5O2/c1-16(2,3)21-14-12(13(17)18-9-19-14)15(20-21)23-11-7-5-6-10(8-11)22-4/h5-9H,1-4H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250103 (CHEMBL4087915 | US11208411, Compound GXJ184) Show SMILES CC(C)(C)n1nc(Oc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16ClN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250016 (CHEMBL4086945 | US11208411, Compound LZH118) Show SMILES CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H17ClN6/c1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250000 (CHEMBL4098707 | US11208411, Compound FUR7-2) Show SMILES Nc1ncnc2n(CC3(CC3)C(F)(F)F)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H13ClF3N5O/c17-9-2-1-3-10(6-9)26-14-11-12(21)22-8-23-13(11)25(24-14)7-15(4-5-15)16(18,19)20/h1-3,6,8H,4-5,7H2,(H2,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250002 (CHEMBL4069991 | US11208411, Compound FUR7-27) Show SMILES Nc1ncnc2n(CC3CCNCC3(F)F)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H17ClF2N6O/c18-11-2-1-3-12(6-11)27-16-13-14(21)23-9-24-15(13)26(25-16)7-10-4-5-22-8-17(10,19)20/h1-3,6,9-10,22H,4-5,7-8H2,(H2,21,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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 California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250015 (CHEMBL4065764 | US11208411, Compound GXJ186) Show SMILES CC(C)(C)n1nc(Sc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16ClN5S/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50249998 (CHEMBL4094646 | US11208411, Compound GXJ176) Show SMILES Cc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1 Show InChI InChI=1S/C16H19N5O/c1-10-6-5-7-11(8-10)22-15-12-13(17)18-9-19-14(12)21(20-15)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250006 (CHEMBL4093769 | US11208411, Compound GXJ237) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H19ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250003 (CHEMBL4074754) Show SMILES Nc1ncnc2n(CC3CCNCC3)cc(Sc3cccc(Cl)c3)c12 Show InChI InChI=1S/C18H20ClN5S/c19-13-2-1-3-14(8-13)25-15-10-24(9-12-4-6-21-7-5-12)18-16(15)17(20)22-11-23-18/h1-3,8,10-12,21H,4-7,9H2,(H2,20,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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 California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250009 (CHEMBL4096137 | US11208411, Compound FUR) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc(Cl)c3)c12 Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-13(8-14)9-15-16-17(20)22-11-23-18(16)25(24-15)10-12-4-6-21-7-5-12/h1-3,8,11-12,21H,4-7,9-10H2,(H2,20,22,23)	PDB UniProtKB/TrEMBL 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
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250011 (CHEMBL4098582 | US11208411, Compound GXJ276) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H20ClN7/c18-12-2-1-3-13(8-12)23-16-14-15(19)21-10-22-17(14)25(24-16)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H,23,24)(H2,19,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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 California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250105 (CHEMBL4090858) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Sc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H19ClN6S/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50249994 (CHEMBL2324593 | US11208411, Compound CZ75) Show SMILES CC(C)(C)n1nc(Cc2cc(F)cc(F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H17F2N5/c1-16(2,3)23-15-13(14(19)20-8-21-15)12(22-23)6-9-4-10(17)7-11(18)5-9/h4-5,7-8H,6H2,1-3H3,(H2,19,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50249996 (CHEMBL4097112 | US11208411, Compound GXJ178) Show SMILES CC(C)(C)n1nc(Oc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-13-11(12(20)21-8-22-13)14(23-24)25-10-6-4-5-9(7-10)16(17,18)19/h4-8H,1-3H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50249995 (CHEMBL4065140 | US11208411, Compound GXJ229) Show SMILES CC(C)(C)n1nc(Oc2cc(F)cc(F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15F2N5O/c1-15(2,3)22-13-11(12(18)19-7-20-13)14(21-22)23-10-5-8(16)4-9(17)6-10/h4-7H,1-3H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50249999 (CHEMBL4088534) Show SMILES Nc1ncnc2n(CC3CCNCC3(F)F)nc(Sc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H17ClF2N6S/c18-11-2-1-3-12(6-11)27-16-13-14(21)23-9-24-15(13)26(25-16)7-10-4-5-22-8-17(10,19)20/h1-3,6,9-10,22H,4-5,7-8H2,(H2,21,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250013 (CHEMBL4095218 | US11208411, Compound GXJ261) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Oc3ccc(F)c(Cl)c3)c12 Show InChI InChI=1S/C17H18ClFN6O/c18-12-7-11(1-2-13(12)19)26-17-14-15(20)22-9-23-16(14)25(24-17)8-10-3-5-21-6-4-10/h1-2,7,9-10,21H,3-6,8H2,(H2,20,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250005 (CHEMBL4060191 | US11208411, Compound FUR6-11) Show SMILES Nc1ncnc2n(CC3CCCNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H19ClN6O/c18-12-4-1-5-13(7-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-3-2-6-20-8-11/h1,4-5,7,10-11,20H,2-3,6,8-9H2,(H2,19,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250001 (CHEMBL4090973 | US11208411, Compound FUR7-30) Show SMILES CN1CCC(Cn2nc(Oc3cccc(Cl)c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C18H21ClN6O/c1-24-7-5-12(6-8-24)10-25-17-15(16(20)21-11-22-17)18(23-25)26-14-4-2-3-13(19)9-14/h2-4,9,11-12H,5-8,10H2,1H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250104 (CHEMBL4080665 | US11208411, Compound FUR7-36) Show SMILES Nc1ncnc2n(CC3CCNC(=O)C3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H17ClN6O2/c18-11-2-1-3-12(7-11)26-17-14-15(19)21-9-22-16(14)24(23-17)8-10-4-5-20-13(25)6-10/h1-3,7,9-10H,4-6,8H2,(H,20,25)(H2,19,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250007 (CHEMBL4073069 | US11208411, Compound FUR6-13) Show SMILES Nc1ncnc2n(CC3CCNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H17ClN6O/c17-11-2-1-3-12(6-11)24-16-13-14(18)20-9-21-15(13)23(22-16)8-10-4-5-19-7-10/h1-3,6,9-10,19H,4-5,7-8H2,(H2,18,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250012 (CHEMBL4080552 | US11208411, Compound MLC468) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cc(F)cc(F)c3)c12 Show InChI InChI=1S/C18H20F2N6/c19-13-5-12(6-14(20)8-13)7-15-16-17(21)23-10-24-18(16)26(25-15)9-11-1-3-22-4-2-11/h5-6,8,10-11,22H,1-4,7,9H2,(H2,21,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250102 (CHEMBL4067196 | US11208411, Compound FUR6-12) Show SMILES Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C15H15ClN6O/c16-10-2-1-3-11(4-10)23-15-12-13(17)19-8-20-14(12)22(21-15)7-9-5-18-6-9/h1-4,8-9,18H,5-7H2,(H2,17,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250008 (CHEMBL4068845 | US11208411, Compound FUR7-89) Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H18ClN5O2/c18-12-2-1-3-13(8-12)25-17-14-15(19)20-10-21-16(14)23(22-17)9-11-4-6-24-7-5-11/h1-3,8,10-11H,4-7,9H2,(H2,19,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250004 (CHEMBL4088414 | US11208411, Compound FUR6-6) Show SMILES Nc1ncnc2n(Cc3ccncc3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H13ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-8,10H,9H2,(H2,19,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50250010 (CHEMBL4069866 | US11208411, Compound FUR7-77) Show SMILES Cc1cccc(Sc2nn(CC3CCNCC3)c3ncnc(N)c23)c1 Show InChI InChI=1S/C18H22N6S/c1-12-3-2-4-14(9-12)25-18-15-16(19)21-11-22-17(15)24(23-18)10-13-5-7-20-8-6-13/h2-4,9,11,13,20H,5-8,10H2,1H3,(H2,19,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250014 (CHEMBL2324597 | US11208411, Compound 3CIB-PP1) Show SMILES CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	607	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250016 (CHEMBL4086945 | US11208411, Compound LZH118) Show SMILES CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H17ClN6/c1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	828	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250011 (CHEMBL4098582 | US11208411, Compound GXJ276) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H20ClN7/c18-12-2-1-3-13(8-12)23-16-14-15(19)21-10-22-17(14)25(24-16)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H,23,24)(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	901	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250102 (CHEMBL4067196 | US11208411, Compound FUR6-12) Show SMILES Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C15H15ClN6O/c16-10-2-1-3-11(4-10)23-15-12-13(17)19-8-20-14(12)22(21-15)7-9-5-18-6-9/h1-4,8-9,18H,5-7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50249998 (CHEMBL4094646 | US11208411, Compound GXJ176) Show SMILES Cc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1 Show InChI InChI=1S/C16H19N5O/c1-10-6-5-7-11(8-10)22-15-12-13(17)18-9-19-14(12)21(20-15)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250017 (CHEMBL4102392 | US11208411, Compound GXJ177) Show SMILES CC(C)(C)n1nc(Oc2cccc(Br)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16BrN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50249996 (CHEMBL4097112 | US11208411, Compound GXJ178) Show SMILES CC(C)(C)n1nc(Oc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-13-11(12(20)21-8-22-13)14(23-24)25-10-6-4-5-9(7-10)16(17,18)19/h4-8H,1-3H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50249994 (CHEMBL2324593 | US11208411, Compound CZ75) Show SMILES CC(C)(C)n1nc(Cc2cc(F)cc(F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H17F2N5/c1-16(2,3)23-15-13(14(19)20-8-21-15)12(22-23)6-9-4-10(17)7-11(18)5-9/h4-5,7-8H,6H2,1-3H3,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250015 (CHEMBL4065764 | US11208411, Compound GXJ186) Show SMILES CC(C)(C)n1nc(Sc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16ClN5S/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250008 (CHEMBL4068845 | US11208411, Compound FUR7-89) Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H18ClN5O2/c18-12-2-1-3-13(8-12)25-17-14-15(19)20-10-21-16(14)23(22-17)9-11-4-6-24-7-5-11/h1-3,8,10-11H,4-7,9H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250009 (CHEMBL4096137 | US11208411, Compound FUR) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc(Cl)c3)c12 Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-13(8-14)9-15-16-17(20)22-11-23-18(16)25(24-15)10-12-4-6-21-7-5-12/h1-3,8,11-12,21H,4-7,9-10H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250010 (CHEMBL4069866 | US11208411, Compound FUR7-77) Show SMILES Cc1cccc(Sc2nn(CC3CCNCC3)c3ncnc(N)c23)c1 Show InChI InChI=1S/C18H22N6S/c1-12-3-2-4-14(9-12)25-18-15-16(19)21-11-22-17(15)24(23-18)10-13-5-7-20-8-6-13/h2-4,9,11,13,20H,5-8,10H2,1H3,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250013 (CHEMBL4095218 | US11208411, Compound GXJ261) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Oc3ccc(F)c(Cl)c3)c12 Show InChI InChI=1S/C17H18ClFN6O/c18-12-7-11(1-2-13(12)19)26-17-14-15(20)22-9-23-16(14)25(24-17)8-10-3-5-21-6-4-10/h1-2,7,9-10,21H,3-6,8H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250006 (CHEMBL4093769 | US11208411, Compound GXJ237) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H19ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250005 (CHEMBL4060191 | US11208411, Compound FUR6-11) Show SMILES Nc1ncnc2n(CC3CCCNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H19ClN6O/c18-12-4-1-5-13(7-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-3-2-6-20-8-11/h1,4-5,7,10-11,20H,2-3,6,8-9H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250004 (CHEMBL4088414 | US11208411, Compound FUR6-6) Show SMILES Nc1ncnc2n(Cc3ccncc3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H13ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-8,10H,9H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250003 (CHEMBL4074754) Show SMILES Nc1ncnc2n(CC3CCNCC3)cc(Sc3cccc(Cl)c3)c12 Show InChI InChI=1S/C18H20ClN5S/c19-13-2-1-3-14(8-13)25-15-10-24(9-12-4-6-21-7-5-12)18-16(15)17(20)22-11-23-18/h1-3,8,10-12,21H,4-7,9H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250002 (CHEMBL4069991 | US11208411, Compound FUR7-27) Show SMILES Nc1ncnc2n(CC3CCNCC3(F)F)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H17ClF2N6O/c18-11-2-1-3-12(6-11)27-16-13-14(21)23-9-24-15(13)26(25-16)7-10-4-5-22-8-17(10,19)20/h1-3,6,9-10,22H,4-5,7-8H2,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250001 (CHEMBL4090973 | US11208411, Compound FUR7-30) Show SMILES CN1CCC(Cn2nc(Oc3cccc(Cl)c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C18H21ClN6O/c1-24-7-5-12(6-8-24)10-25-17-15(16(20)21-11-22-17)18(23-25)26-14-4-2-3-13(19)9-14/h2-4,9,11-12H,5-8,10H2,1H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250104 (CHEMBL4080665 | US11208411, Compound FUR7-36) Show SMILES Nc1ncnc2n(CC3CCNC(=O)C3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H17ClN6O2/c18-11-2-1-3-12(7-11)26-17-14-15(19)21-9-22-16(14)24(23-17)8-10-4-5-20-13(25)6-10/h1-3,7,9-10H,4-6,8H2,(H,20,25)(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250007 (CHEMBL4073069 | US11208411, Compound FUR6-13) Show SMILES Nc1ncnc2n(CC3CCNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H17ClN6O/c17-11-2-1-3-12(6-11)24-16-13-14(18)20-9-21-15(13)23(22-16)8-10-4-5-19-7-10/h1-3,6,9-10,19H,4-5,7-8H2,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250000 (CHEMBL4098707 | US11208411, Compound FUR7-2) Show SMILES Nc1ncnc2n(CC3(CC3)C(F)(F)F)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H13ClF3N5O/c17-9-2-1-3-10(6-9)26-14-11-12(21)22-8-23-13(11)25(24-14)7-15(4-5-15)16(18,19)20/h1-3,6,8H,4-5,7H2,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 57 total )  |  Next  |  Last  >>

Jump to: