Compile Data Set for Download or QSAR

Found 1087 hits with Last Name = 'kraus' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246967 (CHEMBL4080228 | US10570121, Example 81) Show SMILES CO[C@H](C1COC1)c1cc(Cl)c2CCN(Cc3c(OC)cc(C)[nH]c3=O)C(=O)c2c1Cl |r| Show InChI InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Curated by ChEMBL					Assay Description Binding affinity to EZH2 (unknown origin)				J Med Chem 61: 650-665 (2018) Article DOI: 10.1021/acs.jmedchem.7b01375 BindingDB Entry DOI: 10.7270/Q2X069G8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361648 (CHEMBL1940246) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361649 (CHEMBL1938415) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonist potency at Histamine H3 receptor measured as K+-evoked [3H]-histamine release from synaptosomes of rat cerebral cortex.				J Med Chem 41: 4171-6 (1998) Article DOI: 10.1021/jm9802970 BindingDB Entry DOI: 10.7270/Q2MK6C0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361642 (CHEMBL1940251) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092853 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-propan...) Show SMILES CCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18N2O2/c1-2-15(18)12-5-7-14(8-6-12)19-9-3-4-13-10-16-11-17-13/h5-8,10-11H,2-4,9H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283867 (CHEMBL98165 | N-Cyclohexylmethyl-N'-[3-(1H-imidazo...) Show SMILES N=C(NCCCc1cnc[nH]1)NCC1CCCCC1 Show InChI InChI=1S/C14H25N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h10-12H,1-9H2,(H,16,19)(H3,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor binding in guinea pig				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283867 (CHEMBL98165 | N-Cyclohexylmethyl-N'-[3-(1H-imidazo...) Show SMILES N=C(NCCCc1cnc[nH]1)NCC1CCCCC1 Show InChI InChI=1S/C14H25N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h10-12H,1-9H2,(H,16,19)(H3,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50091386 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...) Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092841 (CHEMBL128690 | Cyclobutyl-{4-[3-(1H-imidazol-4-yl)...) Show SMILES O=C(C1CCC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C17H20N2O2/c20-17(13-3-1-4-13)14-6-8-16(9-7-14)21-10-2-5-15-11-18-12-19-15/h6-9,11-13H,1-5,10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361641 (CHEMBL1940247) Show SMILES CC(C)n1cc(C(=O)c2cncc(n2)N(C)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H28FN7O/c1-15(2)34-13-19(23-25(28)30-14-31-26(23)34)24(35)20-11-29-12-22(32-20)33(3)21-6-4-5-18(21)16-7-9-17(27)10-8-16/h7-15,18,21H,4-6H2,1-3H3,(H2,28,30,31)/t18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50193709 (CHEMBL3911017) Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)| Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EZH2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02112 BindingDB Entry DOI: 10.7270/Q23J3HPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361652 (CHEMBL1940250) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-16(20-23(26)29-12-30-24(20)33)22(34)18-9-27-10-19(32-18)31-17-7-8-28-21(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,21,28H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092846 (1-{2-Fluoro-4-[3-(1H-imidazol-4-yl)-propoxy]-pheny...) Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1F Show InChI InChI=1S/C14H15FN2O2/c1-10(18)13-5-4-12(7-14(13)15)19-6-2-3-11-8-16-9-17-11/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092848 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-2-methyl-pheny...) Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1C Show InChI InChI=1S/C15H18N2O2/c1-11-8-14(5-6-15(11)12(2)18)19-7-3-4-13-9-16-10-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361650 (CHEMBL1940248) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-11-16(20-23(26)28-12-29-24(20)32)21(33)18-9-27-10-19(31-18)30-17-7-8-34-22(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,22H,7-8H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361643 (CHEMBL1940252) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H27FN8O2/c1-14(2)35-12-18(22-25(28)30-13-31-26(22)35)24(37)20-10-29-11-21(33-20)32-19-8-9-34(15(3)36)23(19)16-4-6-17(27)7-5-16/h4-7,10-14,19,23H,8-9H2,1-3H3,(H,32,33)(H2,28,30,31)/t19-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361644 (CHEMBL1940253) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H28N8O2/c1-15(2)34-13-18(22-25(27)29-14-30-26(22)34)24(36)20-11-28-12-21(32-20)31-19-9-10-33(16(3)35)23(19)17-7-5-4-6-8-17/h4-8,11-15,19,23H,9-10H2,1-3H3,(H,31,32)(H2,27,29,30)/t19-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283869 (CHEMBL99830 | N-[3-(1H-Imidazol-4-yl)-propyl]-N'-(...) Show SMILES Ic1ccc(CNC(=N)NCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H18IN5/c15-12-5-3-11(4-6-12)8-19-14(16)18-7-1-2-13-9-17-10-20-13/h3-6,9-10H,1-2,7-8H2,(H,17,20)(H3,16,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283869 (CHEMBL99830 | N-[3-(1H-Imidazol-4-yl)-propyl]-N'-(...) Show SMILES Ic1ccc(CNC(=N)NCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H18IN5/c15-12-5-3-11(4-6-12)8-19-14(16)18-7-1-2-13-9-17-10-20-13/h3-6,9-10H,1-2,7-8H2,(H,17,20)(H3,16,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor binding in guinea pig				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092845 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-butan-...) Show SMILES CCCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H20N2O2/c1-2-4-16(19)13-6-8-15(9-7-13)20-10-3-5-14-11-17-12-18-14/h6-9,11-12H,2-5,10H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361653 (CHEMBL1940245) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H27N7O/c1-15(2)32-13-18(22-24(26)28-14-29-25(22)32)23(33)20-11-27-12-21(31-20)30-19-10-6-9-17(19)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,19H,6,9-10H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50562994 (CHEMBL4740532) Show SMILES Cc1nnn(C)c1-c1cc(Br)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(30.21,-10.38,;29.89,-11.89,;30.92,-13.04,;30.16,-14.37,;28.65,-14.05,;27.51,-15.09,;28.48,-12.52,;27.14,-11.76,;25.8,-12.53,;24.47,-11.76,;23.14,-12.52,;24.48,-10.22,;23.14,-9.45,;23.14,-7.92,;24.48,-7.16,;24.48,-5.61,;23.14,-4.84,;23.14,-3.29,;24.47,-2.52,;21.8,-2.53,;20.47,-3.3,;19.13,-2.53,;20.47,-4.84,;21.8,-5.62,;21.8,-7.16,;25.82,-7.91,;27.15,-7.14,;25.81,-9.45,;27.14,-10.22,;28.46,-9.45,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EZH2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02112 BindingDB Entry DOI: 10.7270/Q23J3HPC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092844 (4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole; com...) Show SMILES COc1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50067472 (4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole | 4-...) Show SMILES C#Cc1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H14N2O/c1-2-12-5-7-14(8-6-12)17-9-3-4-13-10-15-11-16-13/h1,5-8,10-11H,3-4,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonist potency at Histamine H3 receptor measured as K+-evoked [3H]-histamine release from synaptosomes of rat cerebral cortex.				J Med Chem 41: 4171-6 (1998) Article DOI: 10.1021/jm9802970 BindingDB Entry DOI: 10.7270/Q2MK6C0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50067472 (4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole | 4-...) Show SMILES C#Cc1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H14N2O/c1-2-12-5-7-14(8-6-12)17-9-3-4-13-10-15-11-16-13/h1,5-8,10-11H,3-4,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK2 receptor				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361651 (CHEMBL1940249) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-17(21-23(26)29-12-30-24(21)33)22(34)19-9-28-10-20(32-19)31-18-8-27-7-16(18)14-3-5-15(25)6-4-14/h3-6,9-13,16,18,27H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092843 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-hexan-...) Show SMILES CCCCCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C18H24N2O2/c1-2-3-4-7-18(21)15-8-10-17(11-9-15)22-12-5-6-16-13-19-14-20-16/h8-11,13-14H,2-7,12H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092838 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-pentan...) Show SMILES CCCCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C17H22N2O2/c1-2-3-6-17(20)14-7-9-16(10-8-14)21-11-4-5-15-12-18-13-19-15/h7-10,12-13H,2-6,11H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50377050 (CHEMBL403858 | PH-709829) Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain				Bioorg Med Chem Lett 18: 3611-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.070 BindingDB Entry DOI: 10.7270/Q2KD1ZS9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50193709 (CHEMBL3911017) Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)| Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EZH2 Y641N mutant (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02112 BindingDB Entry DOI: 10.7270/Q23J3HPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (GUINEA PIG)	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonist potency at Histamine H3 receptor measured as K+-evoked [3H]-histamine release from synaptosomes of rat cerebral cortex.				J Med Chem 41: 4171-6 (1998) Article DOI: 10.1021/jm9802970 BindingDB Entry DOI: 10.7270/Q2MK6C0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092856 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-3-methyl-pheny...) Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)c(C)c1 Show InChI InChI=1S/C15H18N2O2/c1-11-8-13(12(2)18)5-6-15(11)19-7-3-4-14-9-16-10-17-14/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092850 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-2-meth...) Show SMILES CC(C)C(=O)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H20N2O2/c1-12(2)16(19)13-5-7-15(8-6-13)20-9-3-4-14-10-17-11-18-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283874 (CHEMBL317325 | N-Cyclohexyl-N'-[4-(1H-imidazol-4-y...) Show SMILES NC(NCCCCc1cnc[nH]1)=NC1CCCCC1 |w:12.13| Show InChI InChI=1S/C14H25N5/c15-14(19-12-6-2-1-3-7-12)17-9-5-4-8-13-10-16-11-18-13/h10-12H,1-9H2,(H,16,18)(H3,15,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor binding in guinea pig				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283874 (CHEMBL317325 | N-Cyclohexyl-N'-[4-(1H-imidazol-4-y...) Show SMILES NC(NCCCCc1cnc[nH]1)=NC1CCCCC1 |w:12.13| Show InChI InChI=1S/C14H25N5/c15-14(19-12-6-2-1-3-7-12)17-9-5-4-8-13-10-16-11-18-13/h10-12H,1-9H2,(H,16,18)(H3,15,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50092834 (1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-2-phen...) Show SMILES O=C(Cc1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C20H20N2O2/c23-20(13-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-12-4-7-18-14-21-15-22-18/h1-3,5-6,8-11,14-15H,4,7,12-13H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine				J Med Chem 43: 3987-94 (2000) BindingDB Entry DOI: 10.7270/Q2833SRN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50377049 (CHEMBL258031) Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(8-13)4-6-20-15)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)/t11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain				Bioorg Med Chem Lett 18: 3611-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.070 BindingDB Entry DOI: 10.7270/Q2KD1ZS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283871 (CHEMBL329275 | N-(tert-Butoxy-carbonyl)-N'-cyclohe...) Show SMILES CC(C)(C)OC(=O)NC(NCCCCc1cnc[nH]1)=NC1CCCCC1 |w:19.20| Show InChI InChI=1S/C19H33N5O2/c1-19(2,3)26-18(25)24-17(23-15-9-5-4-6-10-15)21-12-8-7-11-16-13-20-14-22-16/h13-15H,4-12H2,1-3H3,(H,20,22)(H2,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50283871 (CHEMBL329275 | N-(tert-Butoxy-carbonyl)-N'-cyclohe...) Show SMILES CC(C)(C)OC(=O)NC(NCCCCc1cnc[nH]1)=NC1CCCCC1 |w:19.20| Show InChI InChI=1S/C19H33N5O2/c1-19(2,3)26-18(25)24-17(23-15-9-5-4-6-10-15)21-12-8-7-11-16-13-20-14-22-16/h13-15H,4-12H2,1-3H3,(H,20,22)(H2,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity for Histamine H3 receptor binding in guinea pig				Bioorg Med Chem Lett 4: 2907-2912 (1994) Article DOI: 10.1016/S0960-894X(01)80838-6 BindingDB Entry DOI: 10.7270/Q20K28H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50377048 (CHEMBL403857) Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sccc2cn1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H17N3OS/c19-15(13-6-14-11(7-16-13)2-4-20-14)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain				Bioorg Med Chem Lett 18: 3611-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.070 BindingDB Entry DOI: 10.7270/Q2KD1ZS9
					More data for this Ligand-Target Pair

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