Compile Data Set for Download or QSAR

Found 1147 hits with Last Name = 'nakaya' and Initial = 'k'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50251556 (CHEMBL4082512) Show SMILES CCCCOP(=O)(OCCCC)Oc1cc(C)cc(C)c1 Show InChI InChI=1S/C16H27O4P/c1-5-7-9-18-21(17,19-10-8-6-2)20-16-12-14(3)11-15(4)13-16/h11-13H,5-10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251557 (CHEMBL4062422) Show SMILES CCCCOP(=O)(OCCCC)Oc1ccc2ccccc2c1 Show InChI InChI=1S/C18H25O4P/c1-3-5-13-20-23(19,21-14-6-4-2)22-18-12-11-16-9-7-8-10-17(16)15-18/h7-12,15H,3-6,13-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251528 (CHEMBL4089303) Show SMILES CCCCOP(=O)(OCCCC)OCc1ccccc1 Show InChI InChI=1S/C15H25O4P/c1-3-5-12-17-20(16,18-13-6-4-2)19-14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
D-aspartate oxidase (Homo sapiens (Human))	BDBM50427221 (5-Aminonicotinic Acid | CHEMBL1491941) Show SMILES Nc1cncc(c1)C(O)=O Show InChI InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Binding affinity to human recombinant DDO				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
RCG38204, isoform CRA_d (Rattus norvegicus)	BDBM50427221 (5-Aminonicotinic Acid | CHEMBL1491941) Show SMILES Nc1cncc(c1)C(O)=O Show InChI InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of rat recombinant DDO using D-Asp				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251512 (CHEMBL4060321) Show SMILES CCCCCOP(=O)(OCCCCC)Oc1ccccc1 Show InChI InChI=1S/C16H27O4P/c1-3-5-10-14-18-21(17,19-15-11-6-4-2)20-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251524 (CHEMBL4070069) Show SMILES CCCCOP(=O)(OCCCC)Oc1ccc(C)cc1 Show InChI InChI=1S/C15H25O4P/c1-4-6-12-17-20(16,18-13-7-5-2)19-15-10-8-14(3)9-11-15/h8-11H,4-7,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
D-aspartate oxidase (Mus musculus)	BDBM50427221 (5-Aminonicotinic Acid | CHEMBL1491941) Show SMILES Nc1cncc(c1)C(O)=O Show InChI InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	8.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant DDO using D-Asp				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251525 (CHEMBL4103125) Show SMILES CCCCOP(=O)(OCCCC)Oc1ccc(C)c(C)c1 Show InChI InChI=1S/C16H27O4P/c1-5-7-11-18-21(17,19-12-8-6-2)20-16-10-9-14(3)15(4)13-16/h9-10,13H,5-8,11-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251526 (CHEMBL4060636) Show SMILES CCCCOP(=O)(OCCCC)Oc1cc(C)c(C)c(C)c1 Show InChI InChI=1S/C17H29O4P/c1-6-8-10-19-22(18,20-11-9-7-2)21-17-12-14(3)16(5)15(4)13-17/h12-13H,6-11H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251558 (CHEMBL4097681) Show SMILES CCCCOP(=O)(OCCCC)OCc1ccc(C)cc1 Show InChI InChI=1S/C16H27O4P/c1-4-6-12-18-21(17,19-13-7-5-2)20-14-16-10-8-15(3)9-11-16/h8-11H,4-7,12-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
D-aspartate oxidase (Homo sapiens (Human))	BDBM50121995 (CHEMBL3617316) Show SMILES OC(=O)c1cn2cnnc2nc1O Show InChI InChI=1S/C6H4N4O3/c11-4-3(5(12)13)1-10-2-7-9-6(10)8-4/h1-2H,(H,12,13)(H,8,9,11)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Binding affinity to human recombinant DDO				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251523 (CHEMBL4076133) Show SMILES CCCCOP(=O)(OCCCC)Oc1cccc(C)c1 Show InChI InChI=1S/C15H25O4P/c1-4-6-11-17-20(16,18-12-7-5-2)19-15-10-8-9-14(3)13-15/h8-10,13H,4-7,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251527 (CHEMBL4084914) Show SMILES CCCCOP(=O)(OCCCC)Oc1cccc2ccccc12 Show InChI InChI=1S/C18H25O4P/c1-3-5-14-20-23(19,21-15-6-4-2)22-18-13-9-11-16-10-7-8-12-17(16)18/h7-13H,3-6,14-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251530 (CHEMBL4073516) Show SMILES CCCCOP(=O)(OCCCC)OCc1cccc(C)c1 Show InChI InChI=1S/C16H27O4P/c1-4-6-11-18-21(17,19-12-7-5-2)20-14-16-10-8-9-15(3)13-16/h8-10,13H,4-7,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
D-aspartate oxidase (Mus musculus)	BDBM50121995 (CHEMBL3617316) Show SMILES OC(=O)c1cn2cnnc2nc1O Show InChI InChI=1S/C6H4N4O3/c11-4-3(5(12)13)1-10-2-7-9-6(10)8-4/h1-2H,(H,12,13)(H,8,9,11)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant DDO using D-Asp				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251511 (CHEMBL4094240) Show SMILES CCCCOP(=O)(OCCCC)Oc1ccccc1 Show InChI InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251560 (CHEMBL4065237) Show SMILES CCCOP(=O)(OCCC)Oc1ccccc1 Show InChI InChI=1S/C12H19O4P/c1-3-10-14-17(13,15-11-4-2)16-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251576 (CHEMBL4074962) Show SMILES CCCCOP(=O)(OCCCC)Oc1ccccc1C Show InChI InChI=1S/C15H25O4P/c1-4-6-12-17-20(16,18-13-7-5-2)19-15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251531 (CHEMBL4080456) Show SMILES CCCCOP(=O)(OCCCC)OCCc1ccccc1 Show InChI InChI=1S/C16H27O4P/c1-3-5-13-18-21(17,19-14-6-4-2)20-15-12-16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
RCG38204, isoform CRA_d (Rattus norvegicus)	BDBM50121995 (CHEMBL3617316) Show SMILES OC(=O)c1cn2cnnc2nc1O Show InChI InChI=1S/C6H4N4O3/c11-4-3(5(12)13)1-10-2-7-9-6(10)8-4/h1-2H,(H,12,13)(H,8,9,11)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of rat recombinant DDO using D-Asp				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251529 (CHEMBL4067296) Show SMILES CCCCOP(=O)(OCCCC)OCc1ccccc1C Show InChI InChI=1S/C16H27O4P/c1-4-6-12-18-21(17,19-13-7-5-2)20-14-16-11-9-8-10-15(16)3/h8-11H,4-7,12-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251559 (CHEMBL4083188) Show SMILES CCOP(=O)(OCC)Oc1ccc2ccccc2c1 Show InChI InChI=1S/C14H17O4P/c1-3-16-19(15,17-4-2)18-14-10-9-12-7-5-6-8-13(12)11-14/h5-11H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.47E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
D-aspartate oxidase (Homo sapiens (Human))	BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) Show SMILES OC(=O)CC(O)=O Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Binding affinity to human recombinant DDO				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50251544 (CHEMBL4105019) Show SMILES CCOP(=O)(OCC)Oc1cc(C)cc(C)c1 Show InChI InChI=1S/C12H19O4P/c1-5-14-17(13,15-6-2)16-12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
D-aspartate oxidase (Mus musculus)	BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) Show SMILES OC(=O)CC(O)=O Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.22E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant DDO using D-Asp				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
RCG38204, isoform CRA_d (Rattus norvegicus)	BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) Show SMILES OC(=O)CC(O)=O Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.56E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of rat recombinant DDO using D-Asp				J Med Chem 58: 7328-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00871 BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50127647 (CHEMBL296745 | Phosphoric acid diethyl ester pheny...) Show SMILES CCOP(=O)(OCC)Oc1ccccc1 Show InChI InChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	1.59E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California State University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 25: 3171-3181 (2017) Article DOI: 10.1016/j.bmc.2017.04.002 BindingDB Entry DOI: 10.7270/Q2NV9MQD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269429 (CHEMBL4084855) Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269428 (CHEMBL4063206) Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269437 (CHEMBL4077376) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM499813 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...) Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM499811 (US11020398, Compound I-123 | US20230364079, Exampl...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269438 (CHEMBL4076060) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fer (Homo sapiens (Human))	BDBM50501949 (CHEMBL4461851) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3cn[nH]c(=O)c23)c1 |r| Show InChI InChI=1S/C21H23N7O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-28-21(18)29)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,11,16-17H,2-3,7-8,23H2,1H3,(H,28,29)(H2,25,26,27)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human FER (SH2 domain to C-terminal) expressed in Escherichia coli assessed as decrease in FL-Peptide...				ACS Med Chem Lett 10: 737-742 (2019) Article DOI: 10.1021/acsmedchemlett.8b00631 BindingDB Entry DOI: 10.7270/Q2WS8XG3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269443 (CHEMBL4095848) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-4-15(21)10-16)8-9-27(14)20-24-18(11-19(28)25(20)2)17-6-7-22-13-23-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499813 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...) Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499813 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...) Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499810 (N-((S)-1-((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoy...) Show SMILES C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM499814 ((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...) Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50438462 (CHEMBL2414623) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(s2)-c2cccnc2)c1 |r| Show InChI InChI=1S/C22H22ClNO5S/c23-16-5-3-12(22-21(28)20(27)19(26)17(11-25)29-22)8-14(16)9-15-4-6-18(30-15)13-2-1-7-24-10-13/h1-8,10,17,19-22,25-28H,9,11H2/t17-,19-,20+,21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...				Bioorg Med Chem 21: 5561-72 (2013) Article DOI: 10.1016/j.bmc.2013.05.048 BindingDB Entry DOI: 10.7270/Q2RX9DHV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269440 (CHEMBL4065818) Show SMILES COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(18-6-4-5-7-19(18)29-3)10-11-27(15)21-24-17(12-20(28)25(21)2)16-8-9-22-14-23-16/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499811 (US11020398, Compound I-123 | US20230364079, Exampl...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499811 (US11020398, Compound I-123 | US20230364079, Exampl...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499838 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-((R)-1- ...) Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499974 ((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...) Show SMILES CC#CC(=O)N1CCCC1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |w:10.10| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499924 (N-(4-chloro-3-(4-(((3R,6S)-6- (hydroxymethyl)tetra...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4cc5CCCCc5cn4)ccc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499869 (N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...) Show SMILES CN(C)CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:7.6,10.13,(-11.74,3.85,;-10.41,3.08,;-10.41,1.54,;-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,3.85,;-5.07,3.08,;-3.74,3.85,;-2.41,3.08,;-2.41,1.54,;-3.74,.77,;-5.07,1.54,;-1.07,.77,;-1.07,-.77,;-2.41,-1.54,;-2.41,-3.08,;-1.07,-3.85,;.26,-3.08,;1.73,-3.56,;2.63,-2.31,;1.73,-1.06,;2.13,.42,;1.04,1.51,;3.61,.82,;4.7,-.27,;6.19,.13,;6.59,1.62,;8.08,2.02,;9.16,.93,;8.77,-.56,;9.85,-1.65,;11.34,-1.25,;11.74,.24,;10.65,1.33,;5.5,2.71,;4.01,2.31,;2.92,3.4,;.26,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499976 ((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...) Show SMILES Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC3CCCN3C(=O)C=C)c12 |w:25.27| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499890 ((S)-2-hydroxy-N-(cis-4-((5-(4- phenoxybenzoyl)-7H-...) Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.5,9.12,1.1,(-9.74,4.62,;-9.74,3.08,;-11.07,2.31,;-8.41,2.31,;-8.41,.77,;-7.07,3.08,;-5.74,2.31,;-4.41,3.08,;-3.07,2.31,;-3.07,.77,;-4.41,,;-5.74,.77,;-1.74,,;-1.74,-1.54,;-3.07,-2.31,;-3.07,-3.85,;-1.74,-4.62,;-.4,-3.85,;1.06,-4.33,;1.97,-3.08,;1.06,-1.83,;1.46,-.35,;.37,.74,;2.95,.05,;4.03,-1.04,;5.52,-.64,;5.92,.85,;7.41,1.25,;8.5,.16,;8.1,-1.33,;9.19,-2.42,;10.68,-2.02,;11.07,-.53,;9.99,.56,;4.83,1.94,;3.34,1.54,;-.4,-2.31,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair

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