Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'polla' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50532740 (CHEMBL4518749) Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50532740 (CHEMBL4518749) Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50300802 (5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...) Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat rat alpha7 nAChR expressed in rat GH4C1 cells				Bioorg Med Chem 17: 5247-58 (2009) Article DOI: 10.1016/j.bmc.2009.05.040 BindingDB Entry DOI: 10.7270/Q29K4B8H
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50532740 (CHEMBL4518749) Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50532740 (CHEMBL4518749) Show SMILES CC1=C2CC(=O)NCc3cc(Cl)ccc3CNC(=O)OCOC(=O)c3cccc(CNN(CC1)C2=O)c3 |c:1| Show InChI InChI=1S/C26H27ClN4O6/c1-16-7-8-31-24(33)22(16)11-23(32)28-14-20-10-21(27)6-5-19(20)13-29-26(35)37-15-36-25(34)18-4-2-3-17(9-18)12-30-31/h2-6,9-10,30H,7-8,11-15H2,1H3,(H,28,32)(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8136 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1 Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8137 (N-(3,4-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F Show InChI InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8128 (N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...) Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50441529 (CHEMBL2436771) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@H]2CC=CC[C@@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD 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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei PDEB1				Bioorg Med Chem Lett 23: 5971-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.057 BindingDB Entry DOI: 10.7270/Q22B90GC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8136 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1 Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM50008271 (CHEMBL3235132) Show SMILES CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r| Show InChI InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis				Bioorg Med Chem 22: 2261-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.010 BindingDB Entry DOI: 10.7270/Q2DZ09TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8128 (N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...) Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8137 (N-(3,4-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F Show InChI InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50506295 (GW801372X) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1 Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50506295 (GW801372X) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1 Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50506295 (GW801372X) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1 Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50058062 (CHEMBL3323128) Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)| Show InChI InChI=1S/C25H29NO5/c1-29-22-10-9-20(25(18-26)13-11-19(12-14-25)24(27)28)17-23(22)31-16-6-5-15-30-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16H2,1H3,(H,27,28)/t19-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PDE4B expressed in Sf21 cells using cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 24: 4084-9 (2014) Article DOI: 10.1016/j.bmcl.2014.07.063 BindingDB Entry DOI: 10.7270/Q26D5VNC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8197 (4-{6-methyl-2-phenylpyrazolo[1,5-a]pyridazin-3-yl}...) Show SMILES Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C24H17F3N6/c1-15-10-11-20-21(22(32-33(20)31-15)16-6-3-2-4-7-16)19-12-13-28-23(30-19)29-18-9-5-8-17(14-18)24(25,26)27/h2-14H,1H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Carboxypeptidase B2 (Homo sapiens (Human))	BDBM50008272 (CHEMBL3235133) Show SMILES Cl.CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r| Show InChI InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<41	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human TAF1a				Bioorg Med Chem 22: 2261-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.010 BindingDB Entry DOI: 10.7270/Q2DZ09TG
					More data for this Ligand-Target Pair

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