Compile Data Set for Download or QSAR

Found 2534 hits with Last Name = 'barf' and Initial = 'ta'   

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 1B (Homo sapiens (Human))	BDBM50054764 ((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...) Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054764 ((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...) Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50054764 ((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...) Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054761 (CHEMBL143767 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	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
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor alpha measured as the reduction of forskolin-stimulated cAMP...				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50054760 (CHEMBL143967 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C17H23F3N2O3S/c1-3-8-22(9-4-2)10-7-13-12-21-16-6-5-14(11-15(13)16)25-26(23,24)17(18,19)20/h5-6,11-12,21H,3-4,7-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054761 (CHEMBL143767 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054761 (CHEMBL143767 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor alpha measured as the reduction of forskolin-stimulated cAMP...				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor alpha measured as the reduction of forskolin-stimulated cAMP...				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054761 (CHEMBL143767 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054760 (CHEMBL143967 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C17H23F3N2O3S/c1-3-8-22(9-4-2)10-7-13-12-21-16-6-5-14(11-15(13)16)25-26(23,24)17(18,19)20/h5-6,11-12,21H,3-4,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor alpha measured as the reduction of forskolin-stimulated cAMP...				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50054761 (CHEMBL143767 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054760 (CHEMBL143967 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C17H23F3N2O3S/c1-3-8-22(9-4-2)10-7-13-12-21-16-6-5-14(11-15(13)16)25-26(23,24)17(18,19)20/h5-6,11-12,21H,3-4,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054764 ((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...) Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054760 (CHEMBL143967 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C17H23F3N2O3S/c1-3-8-22(9-4-2)10-7-13-12-21-16-6-5-14(11-15(13)16)25-26(23,24)17(18,19)20/h5-6,11-12,21H,3-4,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	>218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human dopamine D2 receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054760 (CHEMBL143967 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C17H23F3N2O3S/c1-3-8-22(9-4-2)10-7-13-12-21-16-6-5-14(11-15(13)16)25-26(23,24)17(18,19)20/h5-6,11-12,21H,3-4,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-HT1D beta receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	341	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054760 (CHEMBL143967 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C17H23F3N2O3S/c1-3-8-22(9-4-2)10-7-13-12-21-16-6-5-14(11-15(13)16)25-26(23,24)17(18,19)20/h5-6,11-12,21H,3-4,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	502	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human dopamine D2 receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054761 (CHEMBL143767 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	538	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human dopamine D2 receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human dopamine D2 receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	658	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human dopamine D2 receptor expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50054764 ((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...) Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human Dopamine receptor D2 expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054761 (CHEMBL143767 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against human 5-hydroxytryptamine 1D receptor alpha clones expressed in human embryonic kidney (HEK 293) cel...				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267888 (4-{8-amino-3-[(2R)-4-(3-ethoxypropanoyl)morpholin-...) Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C23H19ClF3N7O2/c24-16-11-31-20(28)19-18(33-21(34(16)19)15-10-29-7-8-36-15)12-1-3-13(4-2-12)22(35)32-17-9-14(5-6-30-17)23(25,26)27/h1-6,9,11,15,29H,7-8,10H2,(H2,28,31)(H,30,32,35)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267889 (4-{8-amino-5-chloro-3-[(2R)-morpholin-2-yl]imidazo...) Show SMILES CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C28H25ClF3N7O4/c1-27(13-42-14-27)26(41)38-8-9-43-18(12-38)24-37-21(22-23(33)35-11-19(29)39(22)24)15-2-4-16(5-3-15)25(40)36-20-10-17(6-7-34-20)28(30,31)32/h2-7,10-11,18H,8-9,12-14H2,1H3,(H2,33,35)(H,34,36,40)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267891 (4-(8-amino-5-methyl-3-{(2R)-4-[(3-methyloxetan-3-y...) Show SMILES CC1(CN2CCO[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)COC1 |r| Show InChI InChI=1S/C28H28F3N7O3/c1-27(15-40-16-27)14-37-10-11-41-20(13-37)25-36-22(23-24(32)34-8-9-38(23)25)17-2-4-18(5-3-17)26(39)35-21-12-19(6-7-33-21)28(29,30)31/h2-9,12,20H,10-11,13-16H2,1H3,(H2,32,34)(H,33,35,39)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267892 (4-(8-amino-3-{(2R)-4-[(3-methyloxetan-3-yl)methyl]...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC2CC2)CCO1 |r| Show InChI InChI=1S/C27H26F3N7O2/c28-27(29,30)19-7-8-32-21(13-19)34-26(38)18-5-3-17(4-6-18)22-23-24(31)33-9-10-37(23)25(35-22)20-15-36(11-12-39-20)14-16-1-2-16/h3-10,13,16,20H,1-2,11-12,14-15H2,(H2,31,33)(H,32,34,38)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267893 (4-{8-amino-3-[(2R)-4-(cyclopropylmethyl)morpholin-...) Show SMILES Cc1cnc(N)c2c(nc([C@H]3CN(Cc4cnn(C)c4)CCO3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N9O2/c1-17-12-35-26(33)25-24(38-27(41(17)25)22-16-40(9-10-43-22)15-18-13-36-39(2)14-18)19-3-5-20(6-4-19)28(42)37-23-11-21(7-8-34-23)29(30,31)32/h3-8,11-14,22H,9-10,15-16H2,1-2H3,(H2,33,35)(H,34,37,42)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267894 (4-(8-amino-5-methyl-3-{(2R)-4-[(1-methyl-1H-pyrazo...) Show SMILES COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C28H28F3N7O4/c1-16-14-34-25(32)24-23(36-26(38(16)24)20-15-37(10-12-42-20)22(39)8-11-41-2)17-3-5-18(6-4-17)27(40)35-21-13-19(7-9-33-21)28(29,30)31/h3-7,9,13-14,20H,8,10-12,15H2,1-2H3,(H2,32,34)(H,33,35,40)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267895 (4-{8-amino-3-[(2R)-4-(3-methoxypropanoyl)morpholin...) Show SMILES CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C26H26F3N7O2/c1-3-35-10-11-38-19(14-35)24-34-21(22-23(30)32-13-15(2)36(22)24)16-4-6-17(7-5-16)25(37)33-20-12-18(8-9-31-20)26(27,28)29/h4-9,12-13,19H,3,10-11,14H2,1-2H3,(H2,30,32)(H,31,33,37)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267896 (4-{8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methyl...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)C1CC1 |r| Show InChI InChI=1S/C27H23F4N7O3/c28-18-11-15(25(39)35-20-12-16(5-6-33-20)27(29,30)31)3-4-17(18)21-22-23(32)34-7-8-38(22)24(36-21)19-13-37(9-10-41-19)26(40)14-1-2-14/h3-8,11-12,14,19H,1-2,9-10,13H2,(H2,32,34)(H,33,35,39)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267897 (4-{8-amino-3-[(2R)-4-(cyclopropylcarbonyl)morpholi...) Show SMILES CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H25F4N7O4/c1-27(13-42-14-27)26(41)38-8-9-43-19(12-38)24-37-21(22-23(33)35-6-7-39(22)24)17-3-2-15(10-18(17)29)25(40)36-20-11-16(4-5-34-20)28(30,31)32/h2-7,10-11,19H,8-9,12-14H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267898 (4-(8-amino-3-{(2R)-4-[(3-methyloxetan-3-yl)carbony...) Show SMILES Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C3(C)COC3)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C29H27F4N7O4/c1-15-11-36-24(34)23-22(38-25(40(15)23)20-12-39(7-8-44-20)27(42)28(2)13-43-14-28)18-4-3-16(9-19(18)30)26(41)37-21-10-17(5-6-35-21)29(31,32)33/h3-6,9-11,20H,7-8,12-14H2,1-2H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267899 (4-(8-amino-5-methyl-3-{(2R)-4-[(3-methyloxetan-3-y...) Show SMILES C[C@H]1CO[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O4/c1-16-13-43-20(12-39(16)27(41)28(2)14-42-15-28)25-37-22(23-24(33)35-9-10-38(23)25)17-3-5-18(6-4-17)26(40)36-21-11-19(7-8-34-21)29(30,31)32/h3-11,16,20H,12-15H2,1-2H3,(H2,33,35)(H,34,36,40)/t16-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267900 (4-(8-amino-3-{(2R,5S)-5-methyl-4-[(3-methyloxetan-...) Show SMILES C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H26F3N7O3/c1-15-14-41-20(13-38(15)27(40)18-6-7-18)25-36-22(23-24(32)34-10-11-37(23)25)16-2-4-17(5-3-16)26(39)35-21-12-19(8-9-33-21)28(29,30)31/h2-5,8-12,15,18,20H,6-7,13-14H2,1H3,(H2,32,34)(H,33,35,39)/t15-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267901 (4-{8-amino-3-[(2R,5S)-4-(cyclopropylcarbonyl)-5-me...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)CO |r| Show InChI InChI=1S/C25H22F3N7O4/c26-25(27,28)16-5-6-30-18(11-16)32-24(38)15-3-1-14(2-4-15)20-21-22(29)31-7-8-35(21)23(33-20)17-12-34(9-10-39-17)19(37)13-36/h1-8,11,17,36H,9-10,12-13H2,(H2,29,31)(H,30,32,38)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267902 (4-{8-amino-3-[(2R)-4-(hydroxyacetyl)morpholin-2-yl...) Show SMILES CCOCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H26F3N7O4/c1-2-40-15-21(38)36-11-12-41-19(14-36)25-35-22(23-24(31)33-9-10-37(23)25)16-3-5-17(6-4-16)26(39)34-20-13-18(7-8-32-20)27(28,29)30/h3-10,13,19H,2,11-12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2534 total )  |  Next  |  Last  >>

Jump to: