Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'kondoh' 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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375450 (CHEMBL407909 | YM-348) Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375900 (CHEMBL259480) Show SMILES Clc1c(Br)ccc2CCNCCc12 Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375450 (CHEMBL407909 | YM-348) Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375899 (CHEMBL406585) Show SMILES Clc1c2CCNCCc2ccc1C#N Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375903 (CHEMBL262862) Show SMILES Clc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375900 (CHEMBL259480) Show SMILES Clc1c(Br)ccc2CCNCCc12 Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375450 (CHEMBL407909 | YM-348) Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375905 (CHEMBL405829) Show SMILES [O-][N+](=O)c1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11ClN2O2/c11-10-8-4-6-12-5-3-7(8)1-2-9(10)13(14)15/h1-2,12H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375898 (CHEMBL406957) Show SMILES COc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C11H14ClNO/c1-14-10-3-2-8-4-6-13-7-5-9(8)11(10)12/h2-3,13H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375897 (CHEMBL261489) Show SMILES C1Cc2ccc3occc3c2CCN1 Show InChI InChI=1S/C12H13NO/c1-2-12-11(5-8-14-12)10-4-7-13-6-3-9(1)10/h1-2,5,8,13H,3-4,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375901 (CHEMBL261490) Show SMILES C1Cc2ccc3ccoc3c2CCN1 Show InChI InChI=1S/C12H13NO/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-2,5,8,13H,3-4,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375900 (CHEMBL259480) Show SMILES Clc1c(Br)ccc2CCNCCc12 Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375899 (CHEMBL406585) Show SMILES Clc1c2CCNCCc2ccc1C#N Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375901 (CHEMBL261490) Show SMILES C1Cc2ccc3ccoc3c2CCN1 Show InChI InChI=1S/C12H13NO/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-2,5,8,13H,3-4,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375904 (CHEMBL429689) Show SMILES Fc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11ClFN/c11-10-8-4-6-13-5-3-7(8)1-2-9(10)12/h1-2,13H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375897 (CHEMBL261489) Show SMILES C1Cc2ccc3occc3c2CCN1 Show InChI InChI=1S/C12H13NO/c1-2-12-11(5-8-14-12)10-4-7-13-6-3-9(1)10/h1-2,5,8,13H,3-4,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375902 (CHEMBL405717) Show SMILES CNc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C11H15ClN2/c1-13-10-3-2-8-4-6-14-7-5-9(8)11(10)12/h2-3,13-14H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375905 (CHEMBL405829) Show SMILES [O-][N+](=O)c1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11ClN2O2/c11-10-8-4-6-12-5-3-7(8)1-2-9(10)13(14)15/h1-2,12H,3-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375898 (CHEMBL406957) Show SMILES COc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C11H14ClNO/c1-14-10-3-2-8-4-6-13-7-5-9(8)11(10)12/h2-3,13H,4-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375899 (CHEMBL406585) Show SMILES Clc1c2CCNCCc2ccc1C#N Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375906 (CHEMBL407636) Show SMILES CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O Show InChI InChI=1S/C11H13ClN2O2/c1-13-6-4-8-2-3-10(14(15)16)11(12)9(8)5-7-13/h2-3H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375898 (CHEMBL406957) Show SMILES COc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C11H14ClNO/c1-14-10-3-2-8-4-6-13-7-5-9(8)11(10)12/h2-3,13H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375902 (CHEMBL405717) Show SMILES CNc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C11H15ClN2/c1-13-10-3-2-8-4-6-14-7-5-9(8)11(10)12/h2-3,13-14H,4-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375897 (CHEMBL261489) Show SMILES C1Cc2ccc3occc3c2CCN1 Show InChI InChI=1S/C12H13NO/c1-2-12-11(5-8-14-12)10-4-7-13-6-3-9(1)10/h1-2,5,8,13H,3-4,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375903 (CHEMBL262862) Show SMILES Clc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375901 (CHEMBL261490) Show SMILES C1Cc2ccc3ccoc3c2CCN1 Show InChI InChI=1S/C12H13NO/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-2,5,8,13H,3-4,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375903 (CHEMBL262862) Show SMILES Clc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11Cl2N/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375904 (CHEMBL429689) Show SMILES Fc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11ClFN/c11-10-8-4-6-13-5-3-7(8)1-2-9(10)12/h1-2,13H,3-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375902 (CHEMBL405717) Show SMILES CNc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C11H15ClN2/c1-13-10-3-2-8-4-6-14-7-5-9(8)11(10)12/h2-3,13-14H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375905 (CHEMBL405829) Show SMILES [O-][N+](=O)c1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11ClN2O2/c11-10-8-4-6-12-5-3-7(8)1-2-9(10)13(14)15/h1-2,12H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375906 (CHEMBL407636) Show SMILES CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O Show InChI InChI=1S/C11H13ClN2O2/c1-13-6-4-8-2-3-10(14(15)16)11(12)9(8)5-7-13/h2-3H,4-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375904 (CHEMBL429689) Show SMILES Fc1ccc2CCNCCc2c1Cl Show InChI InChI=1S/C10H11ClFN/c11-10-8-4-6-13-5-3-7(8)1-2-9(10)12/h1-2,13H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50375906 (CHEMBL407636) Show SMILES CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O Show InChI InChI=1S/C11H13ClN2O2/c1-13-6-4-8-2-3-10(14(15)16)11(12)9(8)5-7-13/h2-3H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem 16: 3309-20 (2008) Article DOI: 10.1016/j.bmc.2007.12.009 BindingDB Entry DOI: 10.7270/Q2PN96H0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144297 (US8969336, 388) Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:40.44,wD:37.40,(6.72,.8,;6.72,-.74,;8.22,-1.06,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-1.33,-3.85,;-4.05,-3.88,;-5.38,-4.65,;-3.28,-5.21,;-4.82,-2.54,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,)| Show InChI InChI=1S/C31H45F3N8O2/c1-19(2)26-29(36-20-4-7-23(43)8-5-20)39-30(27(38-26)28(35)44)37-21-6-9-25(24(18-21)31(32,33)34)42-12-10-22(11-13-42)41-16-14-40(3)15-17-41/h6,9,18-20,22-23,43H,4-5,7-8,10-17H2,1-3H3,(H2,35,44)(H2,36,37,39)/t20-,23-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144299 (US8969336, 392) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 |r,wU:36.40,wD:33.36,36.41,(-2.38,6.54,;-2.38,5,;-1.05,4.23,;.29,5,;1.62,4.23,;2.96,5,;4.29,4.23,;2.96,6.54,;1.62,2.69,;2.96,1.92,;2.96,.38,;4.29,-.39,;4.29,-1.93,;2.96,-2.7,;2.96,-4.24,;4.29,-5.01,;4.29,-6.55,;2.96,-7.32,;1.62,-6.55,;1.62,-5.01,;2.96,-8.86,;4.29,-9.63,;4.29,-11.17,;2.96,-11.94,;2.96,-13.48,;1.62,-11.17,;1.62,-9.63,;1.62,-1.93,;.29,-2.7,;1.62,-.39,;.29,1.92,;-1.05,2.69,;-2.38,1.92,;-3.71,2.69,;-3.71,4.23,;-5.05,5,;-6.38,4.23,;-7.2,5.53,;-7.92,4.28,;-6.38,2.69,;-5.05,1.92,)| Show InChI InChI=1S/C31H48N8O2/c1-5-25-29(33-22-8-12-31(3,41)13-9-22)36-30(27(35-25)28(32)40)34-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24,41H,5,8-19H2,1-4H3,(H2,32,40)(H2,33,34,36)/t22-,31+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144298 (US8969336, 391) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 |r,wU:30.33,wD:27.29,30.34,(-2.16,5.31,;-2.16,3.77,;-.82,3,;.51,3.77,;1.84,3,;3.18,3.77,;4.51,3,;3.18,5.31,;1.84,1.46,;3.18,.69,;3.18,-.85,;4.51,-1.62,;4.51,-3.16,;3.18,-3.93,;3.18,-5.47,;4.51,-6.24,;4.51,-7.78,;3.18,-8.55,;3.18,-10.09,;1.84,-7.78,;1.84,-6.24,;1.84,-3.16,;.51,-3.93,;1.84,-1.62,;.51,.69,;-.82,1.46,;-2.16,.69,;-3.49,1.46,;-3.49,3,;-4.83,3.77,;-6.16,3,;-6.98,4.31,;-7.7,3.06,;-6.16,1.46,;-4.83,.69,)| Show InChI InChI=1S/C26H39N7O2/c1-5-20-24(28-18-8-10-26(3,35)11-9-18)31-25(22(30-20)23(27)34)29-19-6-7-21(17(2)16-19)33-14-12-32(4)13-15-33/h6-7,16,18,35H,5,8-15H2,1-4H3,(H2,27,34)(H2,28,29,31)/t18-,26+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM144323 (US8969336, 567) Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:30.33,wD:27.29,(4.49,2.4,;4.49,.86,;5.99,.54,;3.15,.09,;1.77,.84,;.44,.07,;-.33,1.4,;.44,2.73,;-1.87,1.4,;.44,-1.47,;-.9,-2.24,;-2.23,-1.47,;-3.56,-2.24,;-4.9,-1.47,;-4.9,.07,;-3.56,.84,;-2.23,.07,;-6.23,.84,;-7.56,.07,;-8.9,.84,;-8.95,2.4,;-10.28,3.17,;-7.56,3.15,;-6.23,2.38,;1.77,-2.24,;3.11,-1.47,;4.44,-2.24,;5.77,-1.47,;7.11,-2.24,;8.44,-1.47,;8.44,.07,;9.77,.84,;7.11,.84,;5.77,.07,)| Show InChI InChI=1S/C25H37N7O2/c1-16(2)21-24(27-18-6-10-20(33)11-7-18)30-25(22(29-21)23(26)34)28-17-4-8-19(9-5-17)32-14-12-31(3)13-15-32/h4-5,8-9,16,18,20,33H,6-7,10-15H2,1-3H3,(H2,26,34)(H2,27,28,30)/t18-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144295 (US8969336, 383) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(OC)c(c2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,(4.72,3.31,;4.72,1.77,;3.38,1,;2,1.75,;.67,.98,;-.1,2.31,;.67,3.64,;-1.64,2.31,;.67,-.56,;-.67,-1.33,;-2,-.56,;-2,.98,;-3.33,1.75,;-4.72,1,;-6.05,1.77,;-7.38,1,;-4.67,-.56,;-3.33,-1.33,;-6,-1.33,;-7.34,-.56,;-8.67,-1.33,;-8.72,-2.9,;-10.05,-3.67,;-7.34,-3.64,;-6,-2.87,;2,-1.33,;3.33,-.56,;4.67,-1.33,;6,-.56,;7.34,-1.33,;8.67,-.56,;8.67,.98,;10,1.75,;7.34,1.75,;6,.98,)| Show InChI InChI=1S/C25H37N7O3/c1-4-19-24(27-16-5-8-18(33)9-6-16)30-25(22(29-19)23(26)34)28-17-7-10-21(35-3)20(15-17)32-13-11-31(2)12-14-32/h7,10,15-16,18,33H,4-6,8-9,11-14H2,1-3H3,(H2,26,34)(H2,27,28,30)/t16-,18-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144293 (US8969336, 377) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:27.29,wD:30.33,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.39,;.67,-.38,;-.1,.95,;.67,2.28,;-1.44,1.72,;.67,-1.92,;-.67,-2.69,;-2,-1.92,;-2,-.38,;-3.33,.39,;-4.67,-.38,;-6,.39,;-6,1.93,;-7.34,2.7,;-8.72,1.95,;-10.05,2.72,;-8.67,.39,;-7.34,-.38,;-4.72,-1.95,;-6.05,-2.72,;-3.33,-2.69,;2,-2.69,;3.33,-1.92,;4.67,-2.69,;6,-1.92,;6,-.38,;7.34,.39,;8.67,-.38,;10,.39,;8.67,-1.92,;7.34,-2.69,)| Show InChI InChI=1S/C25H37N7O2/c1-4-20-24(27-17-5-8-19(33)9-6-17)30-25(22(29-20)23(26)34)28-18-7-10-21(16(2)15-18)32-13-11-31(3)12-14-32/h7,10,15,17,19,33H,4-6,8-9,11-14H2,1-3H3,(H2,26,34)(H2,27,28,30)/t17-,19-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144296 (US8969336, 387) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:26.28,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.38,;.67,-.38,;-.1,.95,;.67,2.28,;-1.64,.95,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)| Show InChI InChI=1S/C25H36N6O2/c1-3-21-24(27-19-8-10-20(32)11-9-19)30-25(22(29-21)23(26)33)28-18-6-4-16(5-7-18)17-12-14-31(2)15-13-17/h4-7,17,19-20,32H,3,8-15H2,1-2H3,(H2,26,33)(H2,27,28,30)/t19-,20-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144294 (US8969336, 378) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:36.40,(6.72,.8,;6.72,-.74,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-4.05,-3.88,;-1.33,-3.85,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;10.67,-3.08,;9.34,-3.85,)| Show InChI InChI=1S/C30H46N8O2/c1-4-25-29(32-21-5-8-24(39)9-6-21)35-30(27(34-25)28(31)40)33-22-7-10-26(20(2)19-22)38-13-11-23(12-14-38)37-17-15-36(3)16-18-37/h7,10,19,21,23-24,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,33,35)/t21-,24-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144303 (US8969336, 459) Show SMILES CCOc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(CC)nc2C(N)=O)ccc1N1CCC(CC1)N1CCN(C)CC1 |r,wU:14.14,wD:11.10,(-5.38,-6.19,;-4.05,-5.42,;-4.05,-3.88,;-2.72,-3.11,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,;5.38,-1.51,;6.72,-.74,;6.72,.8,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,)| Show InChI InChI=1S/C31H48N8O3/c1-4-25-30(33-21-6-9-24(40)10-7-21)36-31(28(35-25)29(32)41)34-22-8-11-26(27(20-22)42-5-2)39-14-12-23(13-15-39)38-18-16-37(3)17-19-38/h8,11,20-21,23-24,40H,4-7,9-10,12-19H2,1-3H3,(H2,32,41)(H2,33,34,36)/t21-,24-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM144318 (US8969336, 553 | US8969336, 580) Show SMILES COc1cc(Nc2nc(NC3CCOCC3)c(nc2C(N)=O)C(C)C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C25H37N7O3/c1-16(2)21-24(27-17-7-13-35-14-8-17)30-25(22(29-21)23(26)33)28-18-5-6-19(20(15-18)34-4)32-11-9-31(3)10-12-32/h5-6,15-17H,7-14H2,1-4H3,(H2,26,33)(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144290 (US8969336, 355) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.38,;.67,-.38,;-.42,.7,;-.42,2.24,;-1.91,.31,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;-4.72,-1.95,;-6.05,-2.72,;-6.05,-4.26,;-3.33,-2.69,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)| Show InChI InChI=1S/C25H37N7O3/c1-4-19-24(27-16-5-8-18(33)9-6-16)30-25(22(29-19)23(26)34)28-17-7-10-20(21(15-17)35-3)32-13-11-31(2)12-14-32/h7,10,15-16,18,33H,4-6,8-9,11-14H2,1-3H3,(H2,26,34)(H2,27,28,30)/t16-,18-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144301 (US8969336, 406) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(C3)N(C)C)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:31.33,wD:34.37,(3.9,1.43,;3.9,-.11,;2.57,-.88,;1.18,-.13,;-.15,-.9,;-.92,.43,;-.15,1.76,;-2.46,.43,;-.15,-2.44,;-1.48,-3.21,;-2.82,-2.44,;-2.82,-.9,;-4.15,-.13,;-5.48,-.9,;-6.82,-.13,;-8.28,-.61,;-9.19,.64,;-8.28,1.88,;-6.82,1.41,;-9.05,3.21,;-8.28,4.55,;-10.59,3.21,;-5.53,-2.47,;-4.15,-3.21,;-6.87,-3.24,;-8.2,-4.01,;-6.1,-4.58,;-7.64,-1.91,;1.18,-3.21,;2.52,-2.44,;3.85,-3.21,;5.19,-2.44,;5.19,-.9,;6.52,-.13,;7.85,-.9,;9.19,-.13,;7.85,-2.44,;6.52,-3.21,)| Show InChI InChI=1S/C26H36F3N7O2/c1-4-20-24(31-15-5-8-18(37)9-6-15)34-25(22(33-20)23(30)38)32-16-7-10-21(19(13-16)26(27,28)29)36-12-11-17(14-36)35(2)3/h7,10,13,15,17-18,37H,4-6,8-9,11-12,14H2,1-3H3,(H2,30,38)(H2,31,32,34)/t15-,17?,18-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM144328 (US8969336, 572) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(C)C)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.31,wD:32.35,(5.27,1.66,;5.27,.12,;3.94,-.65,;2.55,.09,;1.22,-.68,;.45,.65,;1.22,1.99,;-1.09,.65,;1.22,-2.22,;-.11,-2.99,;-1.45,-2.22,;-1.45,-.68,;-2.78,.09,;-4.11,-.68,;-5.45,.09,;-6.78,-.68,;-8.12,.09,;-8.16,1.66,;-6.78,2.4,;-5.45,1.63,;-9.5,2.43,;-10.83,1.66,;-9.5,3.97,;-4.16,-2.25,;-5.5,-3.02,;-2.78,-2.99,;2.55,-2.99,;3.89,-2.22,;5.22,-2.99,;6.56,-2.22,;6.56,-.68,;7.89,.09,;9.22,-.68,;10.56,.09,;9.22,-2.22,;7.89,-2.99,)| Show InChI InChI=1S/C27H41N7O2/c1-5-22-26(29-19-6-9-21(35)10-7-19)32-27(24(31-22)25(28)36)30-20-8-11-23(18(4)16-20)34-14-12-33(13-15-34)17(2)3/h8,11,16-17,19,21,35H,5-7,9-10,12-15H2,1-4H3,(H2,28,36)(H2,29,30,32)/t19-,21-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Examp...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM144325 (US8969336, 569) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:36.40,(6.63,1.24,;6.63,-.3,;5.29,-1.07,;3.91,-.33,;2.58,-1.1,;1.81,.24,;2.58,1.57,;.27,.24,;2.58,-2.64,;1.24,-3.41,;-.09,-2.64,;-.09,-1.1,;-1.42,-.33,;-2.76,-1.1,;-4.09,-.33,;-5.42,-1.1,;-6.76,-.33,;-6.76,1.21,;-5.42,1.98,;-4.09,1.21,;-8.09,1.98,;-8.09,3.52,;-9.43,4.29,;-10.81,3.55,;-12.14,4.32,;-10.76,1.98,;-9.43,1.21,;-2.81,-2.67,;-4.14,-3.44,;-1.42,-3.41,;3.91,-3.41,;5.24,-2.64,;6.58,-3.41,;7.91,-2.64,;7.91,-1.1,;9.25,-.33,;10.58,-1.1,;11.91,-.33,;10.58,-2.64,;9.25,-3.41,)| Show InChI InChI=1S/C30H46N8O2/c1-4-25-29(32-21-5-8-24(39)9-6-21)35-30(27(34-25)28(31)40)33-22-7-10-26(20(2)19-22)38-13-11-23(12-14-38)37-17-15-36(3)16-18-37/h7,10,19,21,23-24,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,33,35)/t21-,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Examp...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM144317 (US8969336, 550 | US8969336, 579) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C23H32FN7O2/c1-3-18-22(26-15-6-12-33-13-7-15)29-23(20(28-18)21(25)32)27-16-4-5-19(17(24)14-16)31-10-8-30(2)9-11-31/h4-5,14-15H,3,6-13H2,1-2H3,(H2,25,32)(H2,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Examp...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM144309 (US8969336, 512 | US8969336, 574) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C29H44N8O2/c1-4-24-28(31-21-9-17-39-18-10-21)34-29(26(33-24)27(30)38)32-22-5-6-25(20(2)19-22)37-11-7-23(8-12-37)36-15-13-35(3)14-16-36/h5-6,19,21,23H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Examp...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM144285 (US8969336, 340) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:37.41,wD:34.37,(6.72,.8,;6.72,-.74,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-4.05,-3.88,;-4.05,-5.42,;-1.33,-3.85,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,)| Show InChI InChI=1S/C30H46N8O3/c1-4-24-29(32-20-5-8-23(39)9-6-20)35-30(27(34-24)28(31)40)33-21-7-10-25(26(19-21)41-3)38-13-11-22(12-14-38)37-17-15-36(2)16-18-37/h7,10,19-20,22-23,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,33,35)/t20-,23-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
					More data for this Ligand-Target Pair

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