Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 6914   

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))	BDBM159251 (US9034874, 2.2) Show SMILES O=C(OC1CCN(CC1)c1cc[nH]c(=O)c1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H28N4O3/c24-18-14-16(4-7-20-18)21-8-5-17(6-9-21)26-19(25)23-12-10-22(11-13-23)15-2-1-3-15/h4,7,14-15,17H,1-3,5-6,8-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159252 (US9034874, 2.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1cc[nH]c(=O)c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-4-7-21(8-5-16)15-3-6-19-17(23)13-15/h3,6,13-14,16H,4-5,7-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159248 (US9034874, 1.5) Show SMILES Cn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159253 (US9034874, 3.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-5-7-21(8-6-16)15-3-4-17(23)19-13-15/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159246 (US9034874, 1.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C17H27N5O3/c1-13(2)20-9-11-22(12-10-20)17(24)25-14-5-7-21(8-6-14)15-3-4-16(23)19-18-15/h3-4,13-14H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159244 (US9034874, 1.1) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C18H27N5O3/c24-17-5-4-16(19-20-17)22-8-6-15(7-9-22)26-18(25)23-12-10-21(11-13-23)14-2-1-3-14/h4-5,14-15H,1-3,6-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159253 (US9034874, 3.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-5-7-21(8-6-16)15-3-4-17(23)19-13-15/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159247 (US9034874, 1.4) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C17H25N5O3/c23-16-4-3-15(18-19-16)21-7-5-14(6-8-21)25-17(24)22-11-9-20(10-12-22)13-1-2-13/h3-4,13-14H,1-2,5-12H2,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159245 (US9034874, 1.2) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)n(C)n1 Show InChI InChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(25)26-15-6-8-22(9-7-15)16-4-5-17(24)20(3)19-16/h4-5,14-15H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159249 (US9034874, 1.6) Show SMILES CCn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C19H31N5O3/c1-4-24-18(25)6-5-17(20-24)22-9-7-16(8-10-22)27-19(26)23-13-11-21(12-14-23)15(2)3/h5-6,15-16H,4,7-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159250 (US9034874, 2.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccn(C)c(=O)c1 Show InChI InChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(25)26-17-5-8-22(9-6-17)16-4-7-20(3)18(24)14-16/h4,7,14-15,17H,5-6,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159246 (US9034874, 1.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C17H27N5O3/c1-13(2)20-9-11-22(12-10-20)17(24)25-14-5-7-21(8-6-14)15-3-4-16(23)19-18-15/h3-4,13-14H,5-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159252 (US9034874, 2.3) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1cc[nH]c(=O)c1 Show InChI InChI=1S/C18H28N4O3/c1-14(2)20-9-11-22(12-10-20)18(24)25-16-4-7-21(8-5-16)15-3-6-19-17(23)13-15/h3,6,13-14,16H,4-5,7-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159250 (US9034874, 2.1) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccn(C)c(=O)c1 Show InChI InChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(25)26-17-5-8-22(9-6-17)16-4-7-20(3)18(24)14-16/h4,7,14-15,17H,5-6,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159247 (US9034874, 1.4) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C17H25N5O3/c23-16-4-3-15(18-19-16)21-7-5-14(6-8-21)25-17(24)22-11-9-20(10-12-22)13-1-2-13/h3-4,13-14H,1-2,5-12H2,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159248 (US9034874, 1.5) Show SMILES Cn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159251 (US9034874, 2.2) Show SMILES O=C(OC1CCN(CC1)c1cc[nH]c(=O)c1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C19H28N4O3/c24-18-14-16(4-7-20-18)21-8-5-17(6-9-21)26-19(25)23-12-10-22(11-13-23)15-2-1-3-15/h4,7,14-15,17H,1-3,5-6,8-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159244 (US9034874, 1.1) Show SMILES O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C18H27N5O3/c24-17-5-4-16(19-20-17)22-8-6-15(7-9-22)26-18(25)23-12-10-21(11-13-23)14-2-1-3-14/h4-5,14-15H,1-3,6-13H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159245 (US9034874, 1.2) Show SMILES CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)n(C)n1 Show InChI InChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(25)26-15-6-8-22(9-7-15)16-4-5-17(24)20(3)19-16/h4-5,14-15H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM159249 (US9034874, 1.6) Show SMILES CCn1nc(ccc1=O)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C19H31N5O3/c1-4-24-18(25)6-5-17(20-24)22-9-7-16(8-10-22)27-19(26)23-13-11-21(12-14-23)15(2)3/h5-6,15-16H,4,7-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	44	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -M...				US Patent US9034874 (2015) BindingDB Entry DOI: 10.7270/Q2C82819
					More data for this Ligand-Target Pair