Compile Data Set for Download or QSAR

Found 843 hits with Last Name = 'kim' and Initial = 'js'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483880 (CHEMBL1774642) Show SMILES CNc1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483881 (CHEMBL1774643) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C15H13FN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50135703 (CHEMBL345732 | CHEMBL99367 | Trimethyl-[2-(pyridin...) Show SMILES C[N+](C)(C)CCOc1cccnc1 Show InChI InChI=1S/C10H17N2O/c1-12(2,3)7-8-13-10-5-4-6-11-9-10/h4-6,9H,7-8H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity at alpha4beta2				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483880 (CHEMBL1774642) Show SMILES CNc1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483881 (CHEMBL1774643) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C15H13FN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483882 (CHEMBL284575) Show SMILES Nc1ccc(cc1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C13H9FN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Bundang Hospital Curated by ChEMBL					Assay Description Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting				Bioorg Med Chem 19: 2980-90 (2011) Article DOI: 10.1016/j.bmc.2011.03.029 BindingDB Entry DOI: 10.7270/Q21839CG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50135703 (CHEMBL345732 | CHEMBL99367 | Trimethyl-[2-(pyridin...) Show SMILES C[N+](C)(C)CCOc1cccnc1 Show InChI InChI=1S/C10H17N2O/c1-12(2,3)7-8-13-10-5-4-6-11-9-10/h4-6,9H,7-8H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188956 (CHEMBL209891 | N,N,N-trimethyl-2-phenoxyethanamini...) Show SMILES C[N+](C)(C)CCOc1ccccc1 Show InChI InChI=1S/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188954 (CHEMBL212819 | N,N,N-trimethyl-2-(6-styrylpyridin-...) Show SMILES C[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)nc1 Show InChI InChI=1S/C18H23N2O/c1-20(2,3)13-14-21-18-12-11-17(19-15-18)10-9-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3/q+1/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188952 (CHEMBL379830 | N,N,N-trimethyl-2-(4-styrylphenoxy)...) Show SMILES C[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C19H24NO/c1-20(2,3)15-16-21-19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/q+1/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188948 (CHEMBL209636 | N,N,N-trimethyl-2-(6-phenethylpyrid...) Show SMILES C[N+](C)(C)CCOc1ccc(CCc2ccccc2)nc1 Show InChI InChI=1S/C18H25N2O/c1-20(2,3)13-14-21-18-12-11-17(19-15-18)10-9-16-7-5-4-6-8-16/h4-8,11-12,15H,9-10,13-14H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188957 (CHEMBL209788 | N,N,N-trimethyl-2-(4-phenethylpheno...) Show SMILES C[N+](C)(C)CCOc1ccc(CCc2ccccc2)cc1 Show InChI InChI=1S/C19H26NO/c1-20(2,3)15-16-21-19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-8,11-14H,9-10,15-16H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188964 (N,N-dimethyl-2-(4-phenethylphenoxy)ethanaminium) Show SMILES C[NH+](C)CCOc1ccc(CCc2ccccc2)cc1 Show InChI InChI=1S/C18H23NO/c1-19(2)14-15-20-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-7,10-13H,8-9,14-15H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50119573 (CHEMBL142418 | Dimethyl-(3-pyridin-3-yl-propyl)-am...) Show SMILES CN(C)CCCc1cccnc1 Show InChI InChI=1S/C10H16N2/c1-12(2)8-4-6-10-5-3-7-11-9-10/h3,5,7,9H,4,6,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188963 (CHEMBL150421 | Methyl-((E)-3-pyridin-3-yl-allyl)-a...) Show SMILES CNC\C=C\c1cccnc1 Show InChI InChI=1S/C9H12N2/c1-10-6-2-4-9-5-3-7-11-8-9/h2-5,7-8,10H,6H2,1H3/b4-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188962 (N,N-dimethyl-2-phenoxyethanaminium) Show SMILES C[NH+](C)CCOc1ccccc1 Show InChI InChI=1S/C10H15NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50119558 (CHEMBL142000 | N,N-dimethyl-3-(pyridin-3-yl)prop-2...) Show SMILES CN(C)C\C=C\c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12(2)8-4-6-10-5-3-7-11-9-10/h3-7,9H,8H2,1-2H3/b6-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188960 (N,N-dimethyl-2-(6-phenethylpyridin-3-yloxy)ethanam...) Show SMILES C[NH+](C)CCOc1ccc(CCc2ccccc2)nc1 Show InChI InChI=1S/C17H22N2O/c1-19(2)12-13-20-17-11-10-16(18-14-17)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50115811 (CHEMBL57912 | Ethyl-methyl-[2-(pyridin-3-yloxy)-et...) Show SMILES CCN(C)CCOc1cccnc1 Show InChI InChI=1S/C10H16N2O/c1-3-12(2)7-8-13-10-5-4-6-11-9-10/h4-6,9H,3,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50120586 (CHEMBL112221 | Methyl-[2-(pyridin-3-yloxy)-ethyl]-...) Show SMILES CNCCOc1cccnc1 Show InChI InChI=1S/C8H12N2O/c1-9-5-6-11-8-3-2-4-10-7-8/h2-4,7,9H,5-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188958 (N,N-dimethyl-2-(6-styrylpyridin-3-yloxy)ethanamini...) Show SMILES C[NH+](C)CCOc1ccc(\C=C\c2ccccc2)nc1 Show InChI InChI=1S/C17H20N2O/c1-19(2)12-13-20-17-11-10-16(18-14-17)9-8-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/p+1/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50168255 ((+/-)6-(2-Phenylethyl)nicotine | 5-(1-Methyl-pyrro...) Show SMILES CN1CCCC1c1ccc(CCc2ccccc2)nc1 Show InChI InChI=1S/C18H22N2/c1-20-13-5-8-18(20)16-10-12-17(19-14-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,10,12,14,18H,5,8-9,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188955 (N,N-dimethyl-2-(4-styrylphenoxy)ethanaminium) Show SMILES C[NH+](C)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C18H21NO/c1-19(2)14-15-20-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/p+1/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188953 (CHEMBL215721 | N,N,N-trimethyl-3-(pyridin-3-yloxy)...) Show SMILES C[N+](C)(C)CCCOc1cccnc1 Show InChI InChI=1S/C11H19N2O/c1-13(2,3)8-5-9-14-11-6-4-7-12-10-11/h4,6-7,10H,5,8-9H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188951 (CHEMBL438638 | N-methyl-3-(pyridin-3-yl)prop-2-en-...) Show SMILES CNC\C=C/c1cccnc1 Show InChI InChI=1S/C9H12N2/c1-10-6-2-4-9-5-3-7-11-8-9/h2-5,7-8,10H,6H2,1H3/b4-2-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50188950 (CHEMBL212134 | N-methyl-3-(pyridin-3-yl)propan-1-a...) Show SMILES CNCCCc1cccnc1 Show InChI InChI=1S/C9H14N2/c1-10-6-2-4-9-5-3-7-11-8-9/h3,5,7-8,10H,2,4,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50115808 (CHEMBL61616 | Dimethyl-[2-(pyridin-3-yloxy)-ethyl]...) Show SMILES CN(C)CCOc1cccnc1 Show InChI InChI=1S/C9H14N2O/c1-11(2)6-7-12-9-4-3-5-10-8-9/h3-5,8H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex				Bioorg Med Chem Lett 16: 4283-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.080 BindingDB Entry DOI: 10.7270/Q2CJ8F8J
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50291820 (CHEMBL4159155) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)c2cc(F)ccc2OC)c1=O |(29.31,-33.1,;27.99,-32.34,;26.65,-33.1,;26.65,-34.64,;25.33,-35.41,;24,-34.64,;24,-33.1,;25.33,-32.34,;25.33,-30.8,;22.67,-32.34,;21.34,-33.1,;21.34,-34.64,;20.01,-32.34,;18.66,-33.12,;17.89,-34.47,;18.68,-35.8,;20.24,-35.78,;17.92,-37.15,;16.36,-37.17,;15.57,-35.82,;16.34,-34.47,;15.56,-33.13,;20.01,-30.8,;18.68,-30.03,;21.34,-30.03,;21.34,-28.5,;20.01,-27.73,;18.68,-28.5,;20.01,-26.2,;18.65,-25.42,;18.65,-23.85,;17.29,-23.06,;20.01,-23.06,;21.37,-23.85,;21.37,-25.42,;22.73,-26.2,;24.09,-25.42,;22.67,-30.8,;24,-30.03,)| Show InChI InChI=1S/C28H25F4N3O4/c1-15-25(17-6-4-9-24(39-3)26(17)32)27(36)35(14-22(33)18-12-16(29)10-11-23(18)38-2)28(37)34(15)13-19-20(30)7-5-8-21(19)31/h4-12,22H,13-14,33H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TiumBio Company Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method				Eur J Med Chem 145: 413-424 (2018) Article DOI: 10.1016/j.ejmech.2017.12.095 BindingDB Entry DOI: 10.7270/Q2XK8J2D
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50291735 (CHEMBL4169891) Show SMILES Cc1cc(F)cc(c1)[C@H](Cn1c(=O)c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(C)n(Cc2c(F)cccc2F)c1=O)NCCCC(O)=O |r| Show InChI InChI=1S/C35H37F6N5O5/c1-21-15-23(17-24(36)16-21)29(42-10-4-7-31(47)48)20-46-33(49)32(22(2)45(34(46)50)19-26-27(37)5-3-6-28(26)38)44-13-11-43(12-14-44)18-25-8-9-30(51-25)35(39,40)41/h3,5-6,8-9,15-17,29,42H,4,7,10-14,18-20H2,1-2H3,(H,47,48)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TiumBio Company Ltd. Curated by ChEMBL					Assay Description Binding affinity of compound to human recombinant Ribonuclease L was evaluated				Eur J Med Chem 145: 413-424 (2018) Article DOI: 10.1016/j.ejmech.2017.12.095 BindingDB Entry DOI: 10.7270/Q2XK8J2D
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50291816 (CHEMBL4165983) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)c2ccccc2Cl)c1=O |(29.31,-33.1,;27.99,-32.34,;26.65,-33.1,;26.65,-34.64,;25.33,-35.41,;24,-34.64,;24,-33.1,;25.33,-32.34,;25.33,-30.8,;22.67,-32.34,;21.34,-33.1,;21.34,-34.64,;20.01,-32.34,;18.66,-33.12,;17.89,-34.47,;18.68,-35.8,;20.24,-35.78,;17.92,-37.15,;16.36,-37.17,;15.57,-35.82,;16.34,-34.47,;15.56,-33.13,;20.01,-30.8,;18.68,-30.03,;21.34,-30.03,;21.34,-28.5,;20.01,-27.73,;18.68,-28.5,;20.01,-26.2,;18.65,-25.42,;18.65,-23.85,;20.01,-23.06,;21.37,-23.85,;21.37,-25.42,;22.73,-26.2,;22.67,-30.8,;24,-30.03,)| Show InChI InChI=1S/C27H23ClF3N3O3/c1-15-24(17-8-5-12-23(37-2)25(17)31)26(35)34(14-22(32)16-7-3-4-9-19(16)28)27(36)33(15)13-18-20(29)10-6-11-21(18)30/h3-12,22H,13-14,32H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TiumBio Company Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method				Eur J Med Chem 145: 413-424 (2018) Article DOI: 10.1016/j.ejmech.2017.12.095 BindingDB Entry DOI: 10.7270/Q2XK8J2D
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476709 (2-((5-chloro-4-(6-methyl-1H-indole-3-yl)pyrimidine...) Show SMILES C[C@H]1CN(Cc2cc(cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)c2O)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-22-23(11-31-25(22)8-16)27-24(30)12-32-29(35-27)34-26-10-20(19-5-6-19)9-21(28(26)37)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-19,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476709 (2-((5-chloro-4-(6-methyl-1H-indole-3-yl)pyrimidine...) Show SMILES C[C@H]1CN(Cc2cc(cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)c2O)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-22-23(11-31-25(22)8-16)27-24(30)12-32-29(35-27)34-26-10-20(19-5-6-19)9-21(28(26)37)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-19,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM546731 ((3-(5-chloro-2-((3-cyclopropyl-5-(((3R, 5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3cn(c4cc(CO)ccc34)S(=O)(=O)c3ccc(C)cc3)cc(c2)C2CC2)C[C@@H](C)N1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476704 ( (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(CO)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-13-36(14-18(2)33-17)15-20-7-22(21-4-5-21)10-23(8-20)34-29-32-12-26(30)28(35-29)25-11-31-27-9-19(16-37)3-6-24(25)27/h3,6-12,17-18,21,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50291733 (CHEMBL4173065) Show SMILES Cc1cccc(F)c1Cn1c(C)c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r| Show InChI InChI=1S/C35H39F4N5O5/c1-23-8-6-11-28(36)27(23)21-43-24(2)32(42-18-16-41(17-19-42)20-26-13-14-30(49-26)35(37,38)39)33(47)44(34(43)48)22-29(25-9-4-3-5-10-25)40-15-7-12-31(45)46/h3-6,8-11,13-14,29,40H,7,12,15-22H2,1-2H3,(H,45,46)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TiumBio Company Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method				Eur J Med Chem 145: 413-424 (2018) Article DOI: 10.1016/j.ejmech.2017.12.095 BindingDB Entry DOI: 10.7270/Q2XK8J2D
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476704 ( (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(CO)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-13-36(14-18(2)33-17)15-20-7-22(21-4-5-21)10-23(8-20)34-29-32-12-26(30)28(35-29)25-11-31-27-9-19(16-37)3-6-24(25)27/h3,6-12,17-18,21,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM546731 ((3-(5-chloro-2-((3-cyclopropyl-5-(((3R, 5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3cn(c4cc(CO)ccc34)S(=O)(=O)c3ccc(C)cc3)cc(c2)C2CC2)C[C@@H](C)N1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50506637 (CHEMBL4476226) Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human AXL using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 28: 3761-3765 (2018) Article DOI: 10.1016/j.bmcl.2018.10.013 BindingDB Entry DOI: 10.7270/Q23T9MHD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50506637 (CHEMBL4476226) Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...				Bioorg Med Chem Lett 28: 3761-3765 (2018) Article DOI: 10.1016/j.bmcl.2018.10.013 BindingDB Entry DOI: 10.7270/Q23T9MHD
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50291734 (CHEMBL4159247) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(C)cccc2F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r,wD:26.28,(15.67,-2.45,;14.34,-3.22,;14.34,-4.76,;15.68,-5.53,;15.68,-7.07,;14.34,-7.84,;13.01,-7.06,;13.01,-5.53,;11.68,-4.76,;11.68,-7.82,;11.68,-9.36,;13.01,-10.14,;10.35,-10.13,;10.35,-11.67,;11.14,-12.98,;10.4,-14.32,;8.86,-14.35,;11.2,-15.64,;12.74,-15.61,;13.48,-14.25,;12.67,-12.94,;13.41,-11.58,;9.02,-9.36,;7.69,-10.14,;9.02,-7.82,;7.69,-7.06,;6.36,-7.83,;6.36,-9.37,;5.03,-10.15,;5.03,-11.69,;3.7,-12.46,;3.71,-14,;5.04,-14.77,;2.37,-14.77,;5.02,-7.07,;5.02,-5.53,;3.69,-4.76,;2.35,-5.54,;2.36,-7.08,;3.7,-7.84,;10.35,-7.05,;10.35,-5.51,)| Show InChI InChI=1S/C32H33F2N3O5/c1-20-10-7-14-25(33)24(20)18-36-21(2)29(23-13-8-15-27(42-3)30(23)34)31(40)37(32(36)41)19-26(22-11-5-4-6-12-22)35-17-9-16-28(38)39/h4-8,10-15,26,35H,9,16-19H2,1-3H3,(H,38,39)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TiumBio Company Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method				Eur J Med Chem 145: 413-424 (2018) Article DOI: 10.1016/j.ejmech.2017.12.095 BindingDB Entry DOI: 10.7270/Q2XK8J2D
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50162007 ((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TiumBio Company Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method				Eur J Med Chem 145: 413-424 (2018) Article DOI: 10.1016/j.ejmech.2017.12.095 BindingDB Entry DOI: 10.7270/Q2XK8J2D
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50291819 (CHEMBL4170478) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(N)c2cc(C)cc(F)c2)c1=O |(29.19,-32.96,;27.87,-32.2,;26.54,-32.96,;26.54,-34.5,;25.22,-35.25,;23.9,-34.5,;23.9,-32.96,;25.22,-32.2,;25.22,-30.67,;22.57,-32.2,;21.25,-32.96,;21.25,-34.5,;19.92,-32.2,;18.58,-32.98,;17.82,-34.32,;18.6,-35.65,;20.15,-35.63,;17.85,-36.99,;16.29,-37.01,;15.51,-35.67,;16.27,-34.33,;15.49,-32.99,;19.92,-30.67,;18.6,-29.9,;21.25,-29.9,;21.25,-28.38,;19.92,-27.61,;18.6,-28.38,;19.92,-26.09,;21.28,-25.31,;21.28,-23.74,;22.63,-22.96,;19.92,-22.96,;18.57,-23.74,;17.21,-22.96,;18.57,-25.31,;22.57,-30.67,;23.9,-29.9,)| Show InChI InChI=1S/C28H25F4N3O3/c1-15-10-17(12-18(29)11-15)23(33)14-35-27(36)25(19-6-4-9-24(38-3)26(19)32)16(2)34(28(35)37)13-20-21(30)7-5-8-22(20)31/h4-12,23H,13-14,33H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
TiumBio Company Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method				Eur J Med Chem 145: 413-424 (2018) Article DOI: 10.1016/j.ejmech.2017.12.095 BindingDB Entry DOI: 10.7270/Q2XK8J2D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066870 (CHEMBL3401672) Show SMILES NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.88,3.25,;-18.7,2.03,;-19.66,1.26,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H33N5O3/c28-25(33)18-4-6-21(7-5-18)31-8-10-32(11-9-31)23-3-1-2-22(29-23)26(34)30-24-19-12-17-13-20(24)16-27(35,14-17)15-19/h1-7,17,19-20,24,35H,8-16H2,(H2,28,33)(H,30,34)/t17?,19?,20?,24-,27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50506648 (CHEMBL4445940) Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C25H27F3N6O3S/c1-32(38(2,35)36)22-5-3-4-17-15-34(16-20(17)22)23-21(25(26,27)28)14-29-24(31-23)30-18-6-8-19(9-7-18)33-10-12-37-13-11-33/h3-9,14H,10-13,15-16H2,1-2H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...				Bioorg Med Chem Lett 28: 3761-3765 (2018) Article DOI: 10.1016/j.bmcl.2018.10.013 BindingDB Entry DOI: 10.7270/Q23T9MHD
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis				ACS Med Chem Lett 4: 1054-8 (2013) Article DOI: 10.1021/ml400235c BindingDB Entry DOI: 10.7270/Q2KH0PSN
					More data for this Ligand-Target Pair

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