Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'kim' and Initial = 'ji'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309834 ((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...) Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r| Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309848 ((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309847 ((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309837 (1,3'-bipyrrolidin-1'-yl(4-((2-phenyl-1H-benzo[d]im...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309845 ((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309851 ((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-indol-1-yl)meth...) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2ccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O/c28-24(27-16-12-22(18-27)25-13-3-4-14-25)21-9-7-19(8-10-21)17-26-15-11-20-5-1-2-6-23(20)26/h1-2,5-11,15,22H,3-4,12-14,16-18H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309843 ((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-methyl-1H...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C22H26N4O/c1-16-23-20-6-4-5-7-21(20)26(16)14-17-8-10-18(11-9-17)22(27)25-13-12-19(15-25)24(2)3/h4-11,19H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50309834 ((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...) Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r| Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity to rat histamine H3 receptor				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309844 (1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazol-1-...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309846 ((R)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...) Show SMILES O=C(N1CC[C@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309839 ((S)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309836 ((3-(ethyl(methyl)amino)pyrrolidin-1-yl)(4-((2-phen...) Show SMILES CCN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C28H30N4O/c1-3-30(2)24-17-18-31(20-24)28(33)23-15-13-21(14-16-23)19-32-26-12-8-7-11-25(26)29-27(32)22-9-5-4-6-10-22/h4-16,24H,3,17-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309835 ((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-phenyl-1H...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309853 ((S)-1,3'-bipyrrolidin-1'-yl(4-((5-chloro-1H-indol-...) Show SMILES Clc1ccc2n(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)ccc2c1 |r| Show InChI InChI=1S/C24H26ClN3O/c25-21-7-8-23-20(15-21)9-13-27(23)16-18-3-5-19(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309852 ((S)-1,3'-bipyrrolidin-1'-yl(4-((6-chloro-1H-indol-...) Show SMILES Clc1ccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c2c1 |r| Show InChI InChI=1S/C24H26ClN3O/c25-21-8-7-19-9-13-27(23(19)15-21)16-18-3-5-20(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309841 ((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-(pyridin-...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccn2)cc1 Show InChI InChI=1S/C26H27N5O/c1-29(2)21-14-16-30(18-21)26(32)20-12-10-19(11-13-20)17-31-24-9-4-3-7-22(24)28-25(31)23-8-5-6-15-27-23/h3-13,15,21H,14,16-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309842 ((4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)(3-(di...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2cnc3ccccc23)cc1 Show InChI InChI=1S/C21H24N4O/c1-23(2)18-11-12-24(14-18)21(26)17-9-7-16(8-10-17)13-25-15-22-19-5-3-4-6-20(19)25/h3-10,15,18H,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309849 (1,3'-bipyrrolidin-1'-yl(3-((1H-benzo[d]imidazol-1-...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C23H26N4O/c28-23(26-13-10-20(16-26)25-11-3-4-12-25)19-7-5-6-18(14-19)15-27-17-24-21-8-1-2-9-22(21)27/h1-2,5-9,14,17,20H,3-4,10-13,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309840 ((R)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309838 ((3-((2-hydroxyethyl)(methyl)amino)pyrrolidin-1-yl)...) Show SMILES CN(CCO)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C28H30N4O2/c1-30(17-18-33)24-15-16-31(20-24)28(34)23-13-11-21(12-14-23)19-32-26-10-6-5-9-25(26)29-27(32)22-7-3-2-4-8-22/h2-14,24,33H,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309850 (1,3'-bipyrrolidin-1'-yl(2-((1H-benzo[d]imidazol-1-...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccccc1Cn1cnc2ccccc12 Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-19(16-26)25-12-5-6-13-25)20-8-2-1-7-18(20)15-27-17-24-21-9-3-4-10-22(21)27/h1-4,7-10,17,19H,5-6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317169 ((2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime | C...) Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1 |(19.84,4.61,;18.7,3.57,;17.23,4.04,;19.03,2.07,;20.5,1.6,;20.83,.09,;19.69,-.94,;19.69,-2.48,;18.22,-2.96,;17.74,-4.42,;17.32,-1.71,;15.78,-1.71,;14.87,-2.97,;13.39,-2.49,;12.06,-3.26,;10.72,-2.49,;10.73,-.94,;9.39,-.17,;12.05,-.17,;13.39,-.93,;14.87,-.45,;15.34,1.01,;16.85,1.33,;18.22,-.46,;17.9,1.03,)| Show InChI InChI=1S/C16H8FN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317171 ((2'Z,3'E)-5-Fluoro-5'-fluoro-indirubin-3'-oxime | ...) Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(F)cc2c1N=O Show InChI InChI=1S/C16H9F2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317161 ((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...) Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)| Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317163 ((2'Z,3'E)-5-Fluoro-5'-hydroxy-indirubin-3'-oxime |...) Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(F)cc34)c(N=O)c2c1 Show InChI InChI=1S/C16H10FN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317162 ((2'Z,3'E)-5-Chloro-5'-hydroxy-indirubin-3'-oxime |...) Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(Cl)cc34)c(N=O)c2c1 Show InChI InChI=1S/C16H10ClN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317177 (5-nitroindirubin-3'-oxime | CHEMBL369303) Show SMILES Oc1[nH]c2ccc(cc2c1-c1[nH]c2ccccc2c1N=O)[N+]([O-])=O |(-.11,-4.55,;.8,-3.31,;2.35,-3.31,;2.82,-1.84,;4.22,-1.22,;4.38,.32,;3.13,1.23,;1.73,.6,;1.58,-.94,;.33,-1.84,;-1.21,-1.82,;-2.13,-3.07,;-3.6,-2.58,;-4.91,-3.35,;-6.24,-2.58,;-6.24,-1.05,;-4.91,-.26,;-3.58,-1.03,;-2.11,-.57,;-1.62,.9,;-2.65,2.04,;3.29,2.75,;4.69,3.38,;2.05,3.65,)| Show InChI InChI=1S/C16H9N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17H,(H,18,21)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317170 ((2'Z,3'E)-5-Chloro-5'-fluoro-indirubin-3'-oxime | ...) Show SMILES Fc1ccc2[nH]c(C3C(=O)Nc4ccc(Cl)cc34)c(N=O)c2c1 Show InChI InChI=1S/C16H9ClFN3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317164 ((2'Z,3'E)-5-Trifluoromethoxy-5'-hydroxy-indirubin-...) Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(OC(F)(F)F)cc34)c(N=O)c2c1 Show InChI InChI=1S/C17H10F3N3O4/c18-17(19,20)27-8-2-4-11-9(6-8)13(16(25)22-11)15-14(23-26)10-5-7(24)1-3-12(10)21-15/h1-6,13,21,24H,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317173 ((2'Z,3'E)-5-Nitro-5'-methyl-indirubin-3'-oxime | C...) Show SMILES Cc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(23.35,-22.07,;24.68,-22.84,;24.68,-24.38,;26.01,-25.15,;27.35,-24.38,;28.82,-24.86,;29.73,-23.61,;28.82,-22.35,;29.3,-20.89,;30.8,-20.57,;27.34,-22.83,;26.01,-22.07,;31.27,-23.61,;32.17,-22.36,;31.85,-20.86,;32.98,-19.83,;34.46,-20.3,;34.78,-21.81,;33.64,-22.84,;33.64,-24.38,;32.18,-24.85,;31.7,-26.32,;32.66,-18.33,;33.79,-17.29,;31.19,-17.86,)| Show InChI InChI=1S/C17H11N4O4/c1-8-2-4-13-11(6-8)15(20-23)16(18-13)14-10-7-9(21(24)25)3-5-12(10)19-17(14)22/h2-7,18H,1H3,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317167 ((2'Z,3'E)-5-Fluoro-5'-chloro-indirubin-3'-oxime | ...) Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O Show InChI InChI=1S/C16H9ClFN3O2/c17-7-1-3-12-10(5-7)14(21-23)15(19-12)13-9-6-8(18)2-4-11(9)20-16(13)22/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317166 ((2'Z,3'E)-5-Chloro-5'-chloro-indirubin-3'-oxime | ...) Show SMILES Clc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O Show InChI InChI=1S/C16H9Cl2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM453246 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CCC(C)(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-4-28(2,3)34-25(35)17-37-22-7-5-6-19(12-22)26-32-24-16-36-15-23(24)27(33-26)31-21-10-8-18(9-11-21)20-13-29-30-14-20/h5-14H,4,15-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50317161 ((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...) Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)| Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B after 40 mins by liquid scintillation counting				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317165 ((2'Z,3'E)-5-Nitro-5'-chloro-indirubin-3'-oxime | C...) Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(Cl)cc4c3N=[OH+])c2c1 |(18.15,-5.7,;17.01,-6.74,;15.55,-6.27,;17.34,-8.24,;18.82,-8.71,;19.14,-10.22,;18,-11.25,;18,-12.79,;16.53,-13.26,;16.06,-14.73,;15.63,-12.02,;14.09,-12.02,;13.18,-13.27,;11.7,-12.79,;10.37,-13.56,;9.04,-12.79,;9.04,-11.25,;7.7,-10.48,;10.37,-10.48,;11.7,-11.24,;13.18,-10.76,;13.65,-9.3,;15.16,-8.98,;16.53,-10.77,;16.21,-9.27,)| Show InChI InChI=1S/C16H8ClN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM453265 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)34-25(35)17-37-22-6-4-5-19(13-22)26-32-24-11-12-36-16-23(24)27(33-26)31-21-9-7-18(8-10-21)20-14-29-30-15-20/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM453264 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C29H32N6O3/c1-3-22(4-2)32-27(36)18-38-24-7-5-6-20(14-24)28-34-26-12-13-37-17-25(26)29(35-28)33-23-10-8-19(9-11-23)21-15-30-31-16-21/h5-11,14-16,22H,3-4,12-13,17-18H2,1-2H3,(H,30,31)(H,32,36)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453265 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CC(C)(C)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)34-25(35)17-37-22-6-4-5-19(13-22)26-32-24-11-12-36-16-23(24)27(33-26)31-21-9-7-18(8-10-21)20-14-29-30-15-20/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453246 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CCC(C)(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H30N6O3/c1-4-28(2,3)34-25(35)17-37-22-7-5-6-19(12-22)26-32-24-16-36-15-23(24)27(33-26)31-21-10-8-18(9-11-21)20-13-29-30-14-20/h5-14H,4,15-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM453228 (US10729691, Example 13) Show SMILES O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCCC1 Show InChI InChI=1S/C28H28N6O3/c35-26(31-21-5-1-2-6-21)17-37-23-7-3-4-19(12-23)27-33-25-16-36-15-24(25)28(34-27)32-22-10-8-18(9-11-22)20-13-29-30-14-20/h3-4,7-14,21H,1-2,5-6,15-17H2,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453264 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dih...) Show SMILES CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C29H32N6O3/c1-3-22(4-2)32-27(36)18-38-24-7-5-6-20(14-24)28-34-26-12-13-37-17-25(26)29(35-28)33-23-10-8-19(9-11-23)21-15-30-31-16-21/h5-11,14-16,22H,3-4,12-13,17-18H2,1-2H3,(H,30,31)(H,32,36)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50514308 (CHEMBL4448899) Show SMILES Cc1c(NC(=O)c2cc(nc3cc(F)ccc23)C(N)=O)c(nn1Cc1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM50538375 (CHEMBL4633651) Show SMILES CC(C)(C)NC(=O)COc1cccc(c1)-c1nc2CCNCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C28H31N7O2/c1-28(2,3)35-25(36)17-37-22-6-4-5-19(13-22)26-33-24-11-12-29-16-23(24)27(34-26)32-21-9-7-18(8-10-21)20-14-30-31-15-20/h4-10,13-15,29H,11-12,16-17H2,1-3H3,(H,30,31)(H,35,36)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317172 ((2'Z,3'E)-5-Trifluoromethoxy-5'-fluoro-indirubin-3...) Show SMILES Fc1ccc2[nH]c(C3C(=O)Nc4ccc(OC(F)(F)F)cc34)c(N=O)c2c1 Show InChI InChI=1S/C17H9F4N3O3/c18-7-1-3-12-10(5-7)14(24-26)15(22-12)13-9-6-8(27-17(19,20)21)2-4-11(9)23-16(13)25/h1-6,13,22H,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM453227 (US10729691, Example 12) Show SMILES O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCC1 Show InChI InChI=1S/C27H26N6O3/c34-25(30-20-4-2-5-20)16-36-22-6-1-3-18(11-22)26-32-24-15-35-14-23(24)27(33-26)31-21-9-7-17(8-10-21)19-12-28-29-13-19/h1,3,6-13,20H,2,4-5,14-16H2,(H,28,29)(H,30,34)(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50538383 (CHEMBL4645036) Show SMILES CC1(CC1)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C1CC1 Show InChI InChI=1S/C31H33N7O2/c1-31(12-13-31)37-28(39)19-40-25-4-2-3-21(15-25)29-35-27-11-14-38(24-9-10-24)18-26(27)30(36-29)34-23-7-5-20(6-8-23)22-16-32-33-17-22/h2-8,15-17,24H,9-14,18-19H2,1H3,(H,32,33)(H,37,39)(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317168 ((2'Z,3'E)-5-Trifluoromethoxy-5'-chloro-indirubin-3...) Show SMILES FC(F)(F)Oc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O Show InChI InChI=1S/C17H9ClF3N3O3/c18-7-1-3-12-10(5-7)14(24-26)15(22-12)13-9-6-8(27-17(19,20)21)2-4-11(9)23-16(13)25/h1-6,13,22H,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM453217 (2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dih...) Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C26H26N6O3/c1-16(2)29-24(33)15-35-21-5-3-4-18(10-21)25-31-23-14-34-13-22(23)26(32-25)30-20-8-6-17(7-9-20)19-11-27-28-12-19/h3-12,16H,13-15H2,1-2H3,(H,27,28)(H,29,33)(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM453228 (US10729691, Example 13) Show SMILES O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCCC1 Show InChI InChI=1S/C28H28N6O3/c35-26(31-21-5-1-2-6-21)17-37-23-7-3-4-19(12-23)27-33-25-16-36-15-24(25)28(34-27)32-22-10-8-18(9-11-22)20-13-29-30-14-20/h3-4,7-14,21H,1-2,5-6,15-17H2,(H,29,30)(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50538382 (CHEMBL4649311) Show SMILES CC(CF)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1 Show InChI InChI=1S/C31H36FN7O2/c1-20(15-32)39-13-12-27-26(18-39)30(35-24-10-8-21(9-11-24)23-16-33-34-17-23)37-29(36-27)22-6-5-7-25(14-22)41-19-28(40)38-31(2,3)4/h5-11,14,16-17,20H,12-13,15,18-19H2,1-4H3,(H,33,34)(H,38,40)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Kadmon Corporation, LLC. Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay				J Med Chem 63: 5201-5211 (2020) Article DOI: 10.1021/acs.jmedchem.9b02153 BindingDB Entry DOI: 10.7270/Q2GH9NGP
					More data for this Ligand-Target Pair

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