Compile Data Set for Download or QSAR

Found 670 hits with Last Name = 'hirose' 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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123720 (2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...) Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1 Show InChI InChI=1S/C25H23N3O3/c1-30-22-10-9-17(13-23(22)31-2)21-14-24(28-27-21)26-25(29)18-11-16-8-7-15-5-3-4-6-19(15)20(16)12-18/h3-10,13-14,18H,11-12H2,1-2H3,(H2,26,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123724 (2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...) Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1 Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123724 (2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...) Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1 Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123724 (2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...) Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1 Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50073047 (CHEMBL291666 | N-[5-(3,4-Dimethoxy-phenyl)-1H-pyra...) Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)Cc2ccc3ccccc3c2)[nH]n1 Show InChI InChI=1S/C23H21N3O3/c1-28-20-10-9-18(13-21(20)29-2)19-14-22(26-25-19)24-23(27)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-11,13-14H,12H2,1-2H3,(H2,24,25,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123729 (2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...) Show SMILES O=C(Nc1cc(n[nH]1)-c1ccncc1)C1Cc2ccc3ccccc3c2C1 Show InChI InChI=1S/C22H18N4O/c27-22(24-21-13-20(25-26-21)15-7-9-23-10-8-15)17-11-16-6-5-14-3-1-2-4-18(14)19(16)12-17/h1-10,13,17H,11-12H2,(H2,24,25,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50409778 (CHEMBL2110162) Show SMILES OC(=O)CCc1cccc(CC(=O)Nc2cc(n[nH]2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H18ClN3O3/c21-16-7-5-15(6-8-16)17-12-18(24-23-17)22-19(25)11-14-3-1-2-13(10-14)4-9-20(26)27/h1-3,5-8,10,12H,4,9,11H2,(H,26,27)(H2,22,23,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123735 (CHEMBL160443 | Indan-2-carboxylic acid [5-(3,4-dim...) Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1 Show InChI InChI=1S/C21H21N3O3/c1-26-18-8-7-15(11-19(18)27-2)17-12-20(24-23-17)22-21(25)16-9-13-5-3-4-6-14(13)10-16/h3-8,11-12,16H,9-10H2,1-2H3,(H2,22,23,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123717 (CHEMBL435036 | Indan-2-carboxylic acid [5-(4-chlor...) Show SMILES Clc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1 Show InChI InChI=1S/C19H16ClN3O/c20-16-7-5-12(6-8-16)17-11-18(23-22-17)21-19(24)15-9-13-3-1-2-4-14(13)10-15/h1-8,11,15H,9-10H2,(H2,21,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123726 (CHEMBL159070 | Indan-2-carboxylic acid [5-(4-metho...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1 Show InChI InChI=1S/C20H19N3O2/c1-25-17-8-6-13(7-9-17)18-12-19(23-22-18)21-20(24)16-10-14-4-2-3-5-15(14)11-16/h2-9,12,16H,10-11H2,1H3,(H2,21,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123727 (CHEMBL158759 | Indan-2-carboxylic acid (5-p-tolyl-...) Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1 Show InChI InChI=1S/C20H19N3O/c1-13-6-8-14(9-7-13)18-12-19(23-22-18)21-20(24)17-10-15-4-2-3-5-16(15)11-17/h2-9,12,17H,10-11H2,1H3,(H2,21,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123728 (CHEMBL160722 | Indan-2-carboxylic acid [5-(4-isopr...) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1 Show InChI InChI=1S/C22H23N3O2/c1-14(2)27-19-9-7-15(8-10-19)20-13-21(25-24-20)23-22(26)18-11-16-5-3-4-6-17(16)12-18/h3-10,13-14,18H,11-12H2,1-2H3,(H2,23,24,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123734 (CHEMBL158940 | Indan-2-carboxylic acid [5-(3-chlor...) Show SMILES Clc1cccc(c1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1 Show InChI InChI=1S/C19H16ClN3O/c20-16-7-3-6-14(10-16)17-11-18(23-22-17)21-19(24)15-8-12-4-1-2-5-13(12)9-15/h1-7,10-11,15H,8-9H2,(H2,21,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123732 (CHEMBL161398 | Indan-2-carboxylic acid (5-phenyl-1...) Show SMILES O=C(Nc1cc(n[nH]1)-c1ccccc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C19H17N3O/c23-19(16-10-14-8-4-5-9-15(14)11-16)20-18-12-17(21-22-18)13-6-2-1-3-7-13/h1-9,12,16H,10-11H2,(H2,20,21,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123730 (CHEMBL157588 | Indan-2-carboxylic acid [5-(2-chlor...) Show SMILES Clc1ccccc1-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1 Show InChI InChI=1S/C19H16ClN3O/c20-16-8-4-3-7-15(16)17-11-18(23-22-17)21-19(24)14-9-12-5-1-2-6-13(12)10-14/h1-8,11,14H,9-10H2,(H2,21,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	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 VEGFR2 in HUVEC assessed as reduction of VGF-stimulated cell proliferation after 5 days				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged wild type BRAF (unknown origin) expressed in baculovirus system using GST-MEK1(K96R) as substrate after 20 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50401288 (CHEMBL2204530) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2)c1)c1ccc2nc(NC(C)=O)sc2n1 Show InChI InChI=1S/C26H23FN6O3S/c1-15(34)29-25-31-20-10-11-22(32-24(20)37-25)33(4)17-8-9-19(27)21(13-17)30-23(35)16-6-5-7-18(12-16)36-26(2,3)14-28/h5-13H,1-4H3,(H,30,35)(H,29,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in HUVEC assessed as reduction of VGF-stimulated cell proliferation after 5 days				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123724 (2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...) Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1 Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of compound was determined by its ability to inhibit NPY induced [Ca2+]i increases in CHO cells which expressed the recombinant...				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123724 (2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...) Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1 Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of compound was determined by its ability to inhibit NPY induced [Ca2+]i increases in CHO cells which expressed the recombinant...				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50401287 (CHEMBL2204531) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(C)=O)sc2n1 Show InChI InChI=1S/C26H22ClFN6O3S/c1-14(35)30-25-32-18-10-11-21(33-24(18)38-25)34(4)15-8-9-17(28)19(12-15)31-23(36)16-6-5-7-20(22(16)27)37-26(2,3)13-29/h5-12H,1-4H3,(H,31,36)(H,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in HUVEC assessed as reduction of VGF-stimulated cell proliferation after 5 days				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50409778 (CHEMBL2110162) Show SMILES OC(=O)CCc1cccc(CC(=O)Nc2cc(n[nH]2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H18ClN3O3/c21-16-7-5-15(6-8-16)17-12-18(24-23-17)22-19(25)11-14-3-1-2-13(10-14)4-9-20(26)27/h1-3,5-8,10,12H,4,9,11H2,(H,26,27)(H2,22,23,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of c-RAF				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136699 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccs1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-13-17-7-6-10-28-17)21(25)24-9-8-15-11-18(26-4)19(27-5)12-16(15)14-24/h6-7,10-12,20,23H,8-9,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136711 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccn1C)C(C)(C)C Show InChI InChI=1S/C23H33N3O3/c1-23(2,3)21(24-14-18-8-7-10-25(18)4)22(27)26-11-9-16-12-19(28-5)20(29-6)13-17(16)15-26/h7-8,10,12-13,21,24H,9,11,14-15H2,1-6H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136714 ((S)-3,5-dichloro-N-(1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136718 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccsc1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-12-15-7-9-28-14-15)21(25)24-8-6-16-10-18(26-4)19(27-5)11-17(16)13-24/h7,9-11,14,20,23H,6,8,12-13H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136720 (CHEMBL343551 | N-[1-Benzyl-2-(6,7-dimethoxy-3,4-di...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136694 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123721 (CHEMBL158732 | N-[5-(4-Chloro-phenyl)-1H-pyrazol-3...) Show SMILES Clc1ccc(cc1)-c1cc(NC(=O)Cc2ccc3ccccc3c2)[nH]n1 Show InChI InChI=1S/C21H16ClN3O/c22-18-9-7-16(8-10-18)19-13-20(25-24-19)23-21(26)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,13H,12H2,(H2,23,24,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-PYY binding human recombinant Neuropeptide Y receptor type 5 in LMtk-cells				J Med Chem 46: 666-9 (2003) Article DOI: 10.1021/jm025513q BindingDB Entry DOI: 10.7270/Q2028QWP
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136693 ((+/-)-2-benzyl-1-(6,7-dimethoxy-3,4-dihydroisoquin...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H31NO3/c1-24(2,3)20(13-17-9-7-6-8-10-17)23(26)25-12-11-18-14-21(27-4)22(28-5)15-19(18)16-25/h6-10,14-15,20H,11-13,16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50401286 (CHEMBL2204533) Show SMILES CC(C)(Oc1cccc(C(=O)Nc2cc(Nc3ccc4nc(NC(=O)C5CC5)sc4n3)ccc2F)c1Cl)C#N Show InChI InChI=1S/C27H22ClFN6O3S/c1-27(2,13-30)38-20-5-3-4-16(22(20)28)24(37)32-19-12-15(8-9-17(19)29)31-21-11-10-18-25(34-21)39-26(33-18)35-23(36)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,31,34)(H,32,37)(H,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in HUVEC assessed as reduction of VGF-stimulated cell proliferation after 5 days				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	66	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 His-6-tagged Aurora kinase B (unknown origin) expressed in baculovirus system after 60 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of wild type human BRAF (445 to 726) expressed in Sf9 insect cells				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136703 ((+/-)-3-bromo-N-(1-(6,7-dimethoxy-3,4-dihydroisoqu...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1 Show InChI InChI=1S/C27H26BrFN2O4/c1-34-24-14-18-10-11-31(16-20(18)15-25(24)35-2)27(33)23(12-17-6-4-3-5-7-17)30-26(32)19-8-9-22(29)21(28)13-19/h3-9,13-15,23H,10-12,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of FGFR3				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50401285 (CHEMBL2204532) Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1 Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta				Bioorg Med Chem 20: 5600-15 (2012) Article DOI: 10.1016/j.bmc.2012.07.032 BindingDB Entry DOI: 10.7270/Q2765GH8
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306307 (US10144742, Compound I-469) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OCc1nccs1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C25H21FN6O2S/c26-18-6-3-16(4-7-18)23-25(34-15-22-29-12-13-35-22)32-19-8-5-17(14-20(19)31-23)24(33)30-9-1-2-21-27-10-11-28-21/h3-8,10-14H,1-2,9,15H2,(H,27,28)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306309 (US10144742, Compound I-471) Show SMILES Cc1cc(ccc1F)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C28H23F2N5O/c1-17-15-19(6-10-22(17)30)27-26(18-4-8-21(29)9-5-18)34-23-11-7-20(16-24(23)35-27)28(36)33-12-2-3-25-31-13-14-32-25/h4-11,13-16H,2-3,12H2,1H3,(H,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306310 (US10144742, Compound I-472) Show SMILES Cc1ccc(cc1-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ncc[nH]1)C#N Show InChI InChI=1S/C29H23FN6O/c1-18-4-5-19(17-31)15-23(18)28-27(20-6-9-22(30)10-7-20)35-24-11-8-21(16-25(24)36-28)29(37)34-12-2-3-26-32-13-14-33-26/h4-11,13-16H,2-3,12H2,1H3,(H,32,33)(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306315 (US10144742, Compound I-477) Show SMILES O=C(NCCCc1ncc[nH]1)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C25H21N5OS/c31-25(28-12-4-9-22-26-13-14-27-22)18-10-11-19-20(16-18)30-24(21-8-5-15-32-21)23(29-19)17-6-2-1-3-7-17/h1-3,5-8,10-11,13-16H,4,9,12H2,(H,26,27)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306316 (US10144742, Compound I-478) Show SMILES CC(C)COc1nc2ccc(cc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C25H26FN5O2/c1-16(2)15-33-25-23(17-5-8-19(26)9-6-17)30-21-14-18(7-10-20(21)31-25)24(32)29-11-3-4-22-27-12-13-28-22/h5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,27,28)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306318 (US10144742, Compound I-480) Show SMILES Fc1ccc(cc1)-c1nc2ccc(cc2nc1-c1cc(Cl)ccc1F)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H20ClF2N5O/c28-18-6-9-21(30)20(15-18)26-25(16-3-7-19(29)8-4-16)34-22-10-5-17(14-23(22)35-26)27(36)33-11-1-2-24-31-12-13-32-24/h3-10,12-15H,1-2,11H2,(H,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306319 (US10144742, Compound I-481) Show SMILES COc1ccc(F)c(c1)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C28H23F2N5O2/c1-37-20-9-10-22(30)21(16-20)27-26(17-4-7-19(29)8-5-17)34-23-11-6-18(15-24(23)35-27)28(36)33-12-2-3-25-31-13-14-32-25/h4-11,13-16H,2-3,12H2,1H3,(H,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306322 (US10144742, Compound I-484) Show SMILES COc1cccc(c1)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C28H24FN5O2/c1-36-22-5-2-4-19(16-22)27-26(18-7-10-21(29)11-8-18)33-23-12-9-20(17-24(23)34-27)28(35)32-13-3-6-25-30-14-15-31-25/h2,4-5,7-12,14-17H,3,6,13H2,1H3,(H,30,31)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306323 (US10144742, Compound I-485) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ccc(N)nc1 |r| Show InChI InChI=1S/C29H31FN6O2/c1-18-16-36(17-19(2)38-18)28-27(21-6-9-23(30)10-7-21)34-25-14-22(8-11-24(25)35-28)29(37)32-13-3-4-20-5-12-26(31)33-15-20/h5-12,14-15,18-19H,3-4,13,16-17H2,1-2H3,(H2,31,33)(H,32,37)/t18-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair

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