Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'kawakita' and Initial = 'y'   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50524981 (CHEMBL4562879) Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386696 (CHEMBL2048911) Show SMILES Clc1cc(Nc2ncnc3ccn(CCNC(=O)[C@@H]4CCCN4)c23)ccc1Oc1cccc2sncc12 |r| Show InChI InChI=1S/C26H24ClN7O2S/c27-18-13-16(6-7-22(18)36-21-4-1-5-23-17(21)14-32-37-23)33-25-24-19(30-15-31-25)8-11-34(24)12-10-29-26(35)20-3-2-9-28-20/h1,4-8,11,13-15,20,28H,2-3,9-10,12H2,(H,29,35)(H,30,31,33)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386693 (CHEMBL2048912) Show SMILES CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524985 (CHEMBL4460367) Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C20H19F2N5O2S/c1-11-8-19(26-25-11)27-10-17(30(3,28)29)15-6-7-18(24-20(15)27)23-12(2)14-5-4-13(21)9-16(14)22/h4-10,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315427 ((1S)-1,5-Anhydro-1-[4-chloro-3-[4-(methylsulfanyl)...) Show SMILES CSc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C20H23ClO4S2/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267928 (CHEMBL4066506) Show SMILES OCc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5OS/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)16-6-5-14(28-29-16)17-27-15(11-32)30-33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386694 (CHEMBL2048789) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5CNC(=O)c5c4)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-17-9-14(27-21-20-18(25-12-26-21)5-6-28(20)7-8-29)2-4-19(17)31-15-3-1-13-11-24-22(30)16(13)10-15/h1-6,9-10,12,29H,7-8,11H2,(H,24,30)(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315431 ((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methylbenzyl)phe...) Show SMILES Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C20H23ClO4S/c1-11-2-4-12(5-3-11)8-14-9-13(6-7-15(14)21)20-19(25)18(24)17(23)16(10-22)26-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386708 (CHEMBL2048795) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CC(=O)Nc45)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-15-11-14(26-22-21-16(24-12-25-22)6-7-28(21)8-9-29)4-5-17(15)31-18-3-1-2-13-10-19(30)27-20(13)18/h1-7,11-12,29H,8-10H2,(H,27,30)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315423 ((1S)-1,5-Anhydro-1-[4-chloro-5-(4-ethylbenzyl)-2-m...) Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1 |r| Show InChI InChI=1S/C22H27ClO5S/c1-3-12-4-6-13(7-5-12)8-14-9-15(17(28-2)10-16(14)23)22-21(27)20(26)19(25)18(11-24)29-22/h4-7,9-10,18-22,24-27H,3,8,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386707 (CHEMBL2048796) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5NC(=O)Cc45)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-15-10-13(26-22-21-17(24-12-25-22)6-7-28(21)8-9-29)4-5-19(15)31-18-3-1-2-16-14(18)11-20(30)27-16/h1-7,10,12,29H,8-9,11H2,(H,27,30)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386701 (CHEMBL2048906) Show SMILES CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C23H19ClN6O2S/c1-14(31)25-8-10-30-9-7-18-22(30)23(27-13-26-18)29-15-5-6-20(17(24)11-15)32-19-3-2-4-21-16(19)12-28-33-21/h2-7,9,11-13H,8,10H2,1H3,(H,25,31)(H,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386704 (CHEMBL2048903) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c12 Show InChI InChI=1S/C21H17ClN6O2/c22-15-10-13(26-21-20-17(23-12-24-21)6-7-28(20)8-9-29)4-5-19(15)30-18-3-1-2-16-14(18)11-25-27-16/h1-7,10-12,29H,8-9H2,(H,25,27)(H,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315432 ((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methoxybenzyl)ph...) Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C20H23ClO5S/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315425 ((1S)-1,5-Anhydro-1-[5-(4-ethylbenzyl)-2-methoxy-4-...) Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r| Show InChI InChI=1S/C23H30O5S/c1-4-14-5-7-15(8-6-14)10-16-11-17(18(28-3)9-13(16)2)23-22(27)21(26)20(25)19(12-24)29-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315436 ((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phe...) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H25ClO5S/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524987 (CHEMBL4516801) Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N(C)C)c1ccc(F)cn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315430 ((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethylbenzyl)phen...) Show SMILES CCc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H25ClO4S/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524983 (CHEMBL4458269) Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C1=CCOCC1)c1ccc(F)cn1 |r,t:21| Show InChI InChI=1S/C23H23FN6O/c1-14-11-22(29-28-14)30-13-19(16-7-9-31-10-8-16)18-4-6-21(27-23(18)30)26-15(2)20-5-3-17(24)12-25-20/h3-7,11-13,15H,8-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386704 (CHEMBL2048903) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c12 Show InChI InChI=1S/C21H17ClN6O2/c22-15-10-13(26-21-20-17(23-12-24-21)6-7-28(20)8-9-29)4-5-19(15)30-18-3-1-2-16-14(18)11-25-27-16/h1-7,10-12,29H,8-9H2,(H,25,27)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386698 (CHEMBL2048909) Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12)S(C)(=O)=O Show InChI InChI=1S/C26H25ClN6O4S2/c1-26(2,39(3,35)36)25(34)28-10-12-33-11-9-19-23(33)24(30-15-29-19)32-16-7-8-21(18(27)13-16)37-20-5-4-6-22-17(20)14-31-38-22/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,34)(H,29,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524981 (CHEMBL4562879) Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386703 (CHEMBL2048904) Show SMILES Cn1ncc2c(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cccc12 Show InChI InChI=1S/C22H19ClN6O2/c1-28-18-3-2-4-19(15(18)12-26-28)31-20-6-5-14(11-16(20)23)27-22-21-17(24-13-25-22)7-8-29(21)9-10-30/h2-8,11-13,30H,9-10H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386702 (CHEMBL2048905) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClN5O2S/c22-15-10-13(26-21-20-16(23-12-24-21)6-7-27(20)8-9-28)4-5-18(15)29-17-2-1-3-19-14(17)11-25-30-19/h1-7,10-12,28H,8-9H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50358454 (CHEMBL1923009) Show SMILES OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12 Show InChI InChI=1S/C22H20Cl2N4O3/c23-15-2-1-3-17(12-15)31-20-5-4-16(13-18(20)24)27-22-21-19(25-14-26-22)6-7-28(21)8-10-30-11-9-29/h1-7,12-14,29H,8-11H2,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...				J Med Chem 54: 8030-50 (2011) Article DOI: 10.1021/jm2008634 BindingDB Entry DOI: 10.7270/Q23R0T93
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386700 (CHEMBL2048907) Show SMILES CC(C)(O)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C25H23ClN6O3S/c1-25(2,34)24(33)27-9-11-32-10-8-18-22(32)23(29-14-28-18)31-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-30-36-21/h3-8,10,12-14,34H,9,11H2,1-2H3,(H,27,33)(H,28,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386713 (CHEMBL2048788) Show SMILES CC(C)(C)NC(=O)c1cccc(Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)c1 Show InChI InChI=1S/C25H26ClN5O3/c1-25(2,3)30-24(33)16-5-4-6-18(13-16)34-21-8-7-17(14-19(21)26)29-23-22-20(27-15-28-23)9-10-31(22)11-12-32/h4-10,13-15,32H,11-12H2,1-3H3,(H,30,33)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315426 ((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...) Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r| Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267930 (CHEMBL4104190) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5O2/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)16-6-5-14(28-29-16)17-27-15(11-32)30-33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315418 ((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-methylphe...) Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H28O5S/c1-3-27-17-8-5-14(6-9-17)10-16-11-15(7-4-13(16)2)22-21(26)20(25)19(24)18(12-23)28-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524980 (CHEMBL4437605) Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267945 (CHEMBL4094042) Show SMILES OCc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5OS/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)15-6-5-14(27-28-15)17-30-29-16(11-32)33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation counting				ACS Med Chem Lett 4: 201-5 (2013) Article DOI: 10.1021/ml300327z BindingDB Entry DOI: 10.7270/Q2T1550C
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386709 (CHEMBL2048794) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CNC(=O)c45)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-15-10-14(27-21-20-16(25-12-26-21)6-7-28(20)8-9-29)4-5-17(15)31-18-3-1-2-13-11-24-22(30)19(13)18/h1-7,10,12,29H,8-9,11H2,(H,24,30)(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50386706 (CHEMBL2048797) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O2/c23-16-12-14(27-22-21-18(25-13-26-22)7-9-28(21)10-11-29)4-5-20(16)30-19-3-1-2-17-15(19)6-8-24-17/h1-9,12-13,24,29H,10-11H2,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386693 (CHEMBL2048912) Show SMILES CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50524983 (CHEMBL4458269) Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C1=CCOCC1)c1ccc(F)cn1 |r,t:21| Show InChI InChI=1S/C23H23FN6O/c1-14-11-22(29-28-14)30-13-19(16-7-9-31-10-8-16)18-4-6-21(27-23(18)30)26-15(2)20-5-3-17(24)12-25-20/h3-7,11-13,15H,8-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50315424 ((1S)-1,5-Anhydro-1-[2-methoxy-4-methyl-5-[4-(propa...) Show SMILES COc1cc(C)c(Cc2ccc(cc2)C(C)C)cc1[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H32O5S/c1-13(2)16-7-5-15(6-8-16)10-17-11-18(19(29-4)9-14(17)3)24-23(28)22(27)21(26)20(12-25)30-24/h5-9,11,13,20-28H,10,12H2,1-4H3/t20-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake				J Med Chem 53: 3247-61 (2010) Article DOI: 10.1021/jm901893x BindingDB Entry DOI: 10.7270/Q2KH0NG6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386708 (CHEMBL2048795) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CC(=O)Nc45)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-15-11-14(26-22-21-16(24-12-25-22)6-7-28(21)8-9-29)4-5-17(15)31-18-3-1-2-13-10-19(30)27-20(13)18/h1-7,11-12,29H,8-10H2,(H,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50358467 (CHEMBL1923022) Show SMILES OCCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C24H21ClF3N5O3/c25-18-13-16(4-5-20(18)36-17-3-1-2-15(12-17)24(26,27)28)32-23-22-19(30-14-31-23)6-9-33(22)10-8-29-21(35)7-11-34/h1-6,9,12-14,34H,7-8,10-11H2,(H,29,35)(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...				J Med Chem 54: 8030-50 (2011) Article DOI: 10.1021/jm2008634 BindingDB Entry DOI: 10.7270/Q23R0T93
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524979 (CHEMBL4440381) Show SMILES C[C@H](Oc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)C(=O)N1CCO[C@@H](C)C1)c1ccc(F)cn1 |r| Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386701 (CHEMBL2048906) Show SMILES CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C23H19ClN6O2S/c1-14(31)25-8-10-30-9-7-18-22(30)23(27-13-26-18)29-15-5-6-20(17(24)11-15)32-19-3-2-4-21-16(19)12-28-33-21/h2-7,9,11-13H,8,10H2,1H3,(H,25,31)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50391645 (CHEMBL2148050) Show SMILES CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12 Show InChI InChI=1S/C23H21Cl2N5O4S/c1-35(32,33)13-21(31)26-8-10-30-9-7-19-22(30)23(28-14-27-19)29-16-5-6-20(18(25)12-16)34-17-4-2-3-15(24)11-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,26,31)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal DYKDDDD tagged HER2 cytoplasmic domain amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...				Bioorg Med Chem 20: 6171-80 (2012) Article DOI: 10.1016/j.bmc.2012.08.002 BindingDB Entry DOI: 10.7270/Q21R6RMZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50062522 ((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...) Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-MGS0008 from mGluR2 expressed in CHO cells				Bioorg Med Chem 16: 4359-66 (2008) Article DOI: 10.1016/j.bmc.2008.02.066 BindingDB Entry DOI: 10.7270/Q2PG1SMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386707 (CHEMBL2048796) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5NC(=O)Cc45)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O3/c23-15-10-13(26-22-21-17(24-12-25-22)6-7-28(21)8-9-29)4-5-19(15)31-18-3-1-2-16-14(18)11-20(30)27-16/h1-7,10,12,29H,8-9,11H2,(H,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386696 (CHEMBL2048911) Show SMILES Clc1cc(Nc2ncnc3ccn(CCNC(=O)[C@@H]4CCCN4)c23)ccc1Oc1cccc2sncc12 |r| Show InChI InChI=1S/C26H24ClN7O2S/c27-18-13-16(6-7-22(18)36-21-4-1-5-23-17(21)14-32-37-23)33-25-24-19(30-15-31-25)8-11-34(24)12-10-29-26(35)20-3-2-9-28-20/h1,4-8,11,13-15,20,28H,2-3,9-10,12H2,(H,29,35)(H,30,31,33)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50386706 (CHEMBL2048797) Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c12 Show InChI InChI=1S/C22H18ClN5O2/c23-16-12-14(27-22-21-18(25-13-26-22)7-9-28(21)10-11-29)4-5-20(16)30-19-3-1-2-17-15(19)6-8-24-17/h1-9,12-13,24,29H,10-11H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524984 (CHEMBL4434659) Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12 Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50524984 (CHEMBL4434659) Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12 Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...				J Med Chem 62: 4915-4935 (2019) Article DOI: 10.1021/acs.jmedchem.8b01630 BindingDB Entry DOI: 10.7270/Q2B56P57
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 370 total )  |  Next  |  Last  >>

Jump to: