Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50001830   

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))	BDBM50404953 (CHEMBL4165167) Show SMILES COC1=CC2(C=C(OC)C1=O)N(C(C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1OC)C(=O)C(=C2c1ccccc1)c1ccc(cc1)C(F)(F)F |c:39,t:2,5| Show InChI InChI=1S/C22H26N6O3S/c23-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(31-22)10-32-8-4-3-5-13-9-24-15-7-2-1-6-14(13)15/h1-2,6-7,9,11-12,16,18-19,22,24,29-30H,3-5,8,10H2,(H2,23,25,26)/t16-,18-,19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405115 (CHEMBL4166675) Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2ccc(cc2)C(F)(F)F)C(=O)C=C1c1ccccc1 |r,c:5,28| Show InChI InChI=1S/C16H17N4O8P/c21-11-9(6-27-29(24,25)26)28-16(12(11)22)20-7-17-10-14(20)18-13(19-15(10)23)8-4-2-1-3-5-8/h1-5,7,9,11-12,16,21-22H,6H2,(H,18,19,23)(H2,24,25,26)/t9-,11-,12-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50404995 (CHEMBL4162793) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C19H19FN8O5/c20-10-5-8(17(31)26-12(18(32)33)3-4-13(29)30)1-2-11(10)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50404996 (CHEMBL4174766) Show SMILES COc1ccc(cc1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccc(Br)cc1 Show InChI InChI=1S/C19H19FN8O5/c20-11-5-8(1-2-10(11)17(31)26-12(18(32)33)3-4-13(29)30)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405028 (CHEMBL4166386) Show SMILES COc1ccc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccccc2)cc1 Show InChI InChI=1S/C23H24ClN3O7/c24-16-3-1-15(2-4-16)12-25-7-9-26(10-8-25)13-17(28)14-33-18-5-6-19-20(11-18)34-23(30)21(22(19)29)27(31)32/h1-6,11,17,28-29H,7-10,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405029 (CHEMBL4169663) Show SMILES COc1ccc(cc1)C1=C(c2ccccc2)C2(C=CC(=O)C=C2)N(C(C(=O)NC2CCCCC2)c2cc3OCOc3cc2Br)C1=O |c:9,19,23| Show InChI InChI=1S/C23H24ClN3O6/c24-17-4-2-16(3-5-17)15-26-11-9-25(10-12-26)8-1-13-32-18-6-7-19-20(14-18)33-23(29)21(22(19)28)27(30)31/h2-7,14,28H,1,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405030 (CHEMBL4174591) Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2cc(F)cc(F)c2)C(=O)C=C1c1ccccc1 |r,c:5,26| Show InChI InChI=1S/C21H20ClN3O5/c22-16-4-1-14(2-5-16)12-23-7-9-24(10-8-23)13-15-3-6-17-18(11-15)30-21(27)19(20(17)26)25(28)29/h1-6,11,26H,7-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405031 (CHEMBL4174017) Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccccc2Cl)cc(OC)c1OC Show InChI InChI=1S/C22H22ClN3O6/c23-16-3-1-15(2-4-16)14-25-9-7-24(8-10-25)11-12-31-17-5-6-18-19(13-17)32-22(28)20(21(18)27)26(29)30/h1-6,13,27H,7-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	186	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405031 (CHEMBL4174017) Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccccc2Cl)cc(OC)c1OC Show InChI InChI=1S/C22H22ClN3O6/c23-16-3-1-15(2-4-16)14-25-9-7-24(8-10-25)11-12-31-17-5-6-18-19(13-17)32-22(28)20(21(18)27)26(29)30/h1-6,13,27H,7-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	187	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405032 (CHEMBL4159472) Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2ccc(cc2)[N+]([O-])=O)C(=O)C=C1c1ccccc1 |r,c:5,27| Show InChI InChI=1S/C17H21N3O6/c1-18-6-8-19(9-7-18)5-2-10-25-12-3-4-13-14(11-12)26-17(22)15(16(13)21)20(23)24/h3-4,11,21H,2,5-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405033 (CHEMBL4175106) Show SMILES COc1ccc(NC2(C(=O)N(C3CCCCC3)C(=O)C2=Cc2ccccc2)c2cc(F)cc(F)c2)cc1 Show InChI InChI=1S/C23H25N3O6/c27-22-19-8-7-18(15-20(19)32-23(28)21(22)26(29)30)31-14-4-9-24-10-12-25(13-11-24)16-17-5-2-1-3-6-17/h1-3,5-8,15,27H,4,9-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50404996 (CHEMBL4174766) Show SMILES COc1ccc(cc1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccc(Br)cc1 Show InChI InChI=1S/C19H19FN8O5/c20-11-5-8(1-2-10(11)17(31)26-12(18(32)33)3-4-13(29)30)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405028 (CHEMBL4166386) Show SMILES COc1ccc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccccc2)cc1 Show InChI InChI=1S/C23H24ClN3O7/c24-16-3-1-15(2-4-16)12-25-7-9-26(10-8-25)13-17(28)14-33-18-5-6-19-20(11-18)34-23(30)21(22(19)29)27(31)32/h1-6,11,17,28-29H,7-10,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405034 (CHEMBL4164467) Show SMILES COc1ccc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(Br)cc2)cc1OC Show InChI InChI=1S/C26H30ClN3O7/c1-2-3-20-22(9-8-21-24(32)23(30(34)35)26(33)37-25(20)21)36-16-19(31)15-29-12-10-28(11-13-29)14-17-4-6-18(27)7-5-17/h4-9,19,31-32H,2-3,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405113 (CHEMBL4161732) Show SMILES COc1ccc(C(N2C(=O)C(=C(c3ccccc3)C22C=CC(=O)C=C2)c2ccc(cc2)C(F)(F)F)C(=O)NC2CCCCC2)c(OC)c1OC |c:21,25,t:10| Show InChI InChI=1S/C20H33N4O8P/c1-2-3-4-5-6-7-8-9-10-14-22-18-15(19(27)23-14)21-12-24(18)20-17(26)16(25)13(32-20)11-31-33(28,29)30/h12-13,16-17,20,25-26H,2-11H2,1H3,(H,22,23,27)(H2,28,29,30)/t13-,16-,17-,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405114 (CHEMBL4166645) Show SMILES Clc1ccc(cc1)C(N1C(=O)C=C(c2ccccc2)C11C=CC(=O)C=C1)C(=O)NC1CCCCC1 |c:23,27,t:12| Show InChI InChI=1S/C16H25N4O8P/c1-2-3-4-5-6-10-18-14-11(15(23)19-10)17-8-20(14)16-13(22)12(21)9(28-16)7-27-29(24,25)26/h8-9,12-13,16,21-22H,2-7H2,1H3,(H,18,19,23)(H2,24,25,26)/t9-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405030 (CHEMBL4174591) Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2cc(F)cc(F)c2)C(=O)C=C1c1ccccc1 |r,c:5,26| Show InChI InChI=1S/C21H20ClN3O5/c22-16-4-1-14(2-5-16)12-23-7-9-24(10-8-23)13-15-3-6-17-18(11-15)30-21(27)19(20(17)26)25(28)29/h1-6,11,26H,7-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405115 (CHEMBL4166675) Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2ccc(cc2)C(F)(F)F)C(=O)C=C1c1ccccc1 |r,c:5,28| Show InChI InChI=1S/C16H17N4O8P/c21-11-9(6-27-29(24,25)26)28-16(12(11)22)20-7-17-10-14(20)18-13(19-15(10)23)8-4-2-1-3-5-8/h1-5,7,9,11-12,16,21-22H,6H2,(H,18,19,23)(H2,24,25,26)/t9-,11-,12-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405116 (CHEMBL4177416) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1cc(F)cc(F)c1 Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405117 (CHEMBL4170869) Show SMILES COc1ccc(cc1)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC1CCCCC1)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C19H31N4O8P/c1-2-3-4-5-6-7-8-9-13-21-17-14(18(26)22-13)20-11-23(17)19-16(25)15(24)12(31-19)10-30-32(27,28)29/h11-12,15-16,19,24-25H,2-10H2,1H3,(H,21,22,26)(H2,27,28,29)/t12-,15-,16-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405118 (CHEMBL4167482) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC1CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C18H29N4O8P/c1-2-3-4-5-6-7-8-12-20-16-13(17(25)21-12)19-10-22(16)18-15(24)14(23)11(30-18)9-29-31(26,27)28/h10-11,14-15,18,23-24H,2-9H2,1H3,(H,20,21,25)(H2,26,27,28)/t11-,14-,15-,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50404954 (CHEMBL4165989) Show SMILES COc1ccc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H22N2O2S/c17-14(16(19)20)8-10-21-9-4-3-5-12-11-18-15-7-2-1-6-13(12)15/h1-2,6-7,11,14,18H,3-5,8-10,17H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405119 (CHEMBL4176601) Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(Br)cc2)cc(OC)c1OC Show InChI InChI=1S/C17H17ClN5O10PS/c18-8-3-7(23(27)28)2-1-6(8)5-35-17-21-14-10(16(26)22-17)19-15(20-14)13-12(25)11(24)9(33-13)4-32-34(29,30)31/h1-3,9,11-13,24-25H,4-5H2,(H2,29,30,31)(H2,19,20,21,22,26)/t9-,11-,12-,13?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405120 (CHEMBL4166098) Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2cccc(Cl)c2)cc(OC)c1OC Show InChI InChI=1S/C16H18N5O8P/c22-12-9(6-28-30(25,26)27)29-16(13(12)23)21-7-18-11-14(21)19-10(20-15(11)24)4-8-2-1-3-17-5-8/h1-3,5,7,9,12-13,16,22-23H,4,6H2,(H,19,20,24)(H2,25,26,27)/t9-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405034 (CHEMBL4164467) Show SMILES COc1ccc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(Br)cc2)cc1OC Show InChI InChI=1S/C26H30ClN3O7/c1-2-3-20-22(9-8-21-24(32)23(30(34)35)26(33)37-25(20)21)36-16-19(31)15-29-12-10-28(11-13-29)14-17-4-6-18(27)7-5-17/h4-9,19,31-32H,2-3,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405113 (CHEMBL4161732) Show SMILES COc1ccc(C(N2C(=O)C(=C(c3ccccc3)C22C=CC(=O)C=C2)c2ccc(cc2)C(F)(F)F)C(=O)NC2CCCCC2)c(OC)c1OC |c:21,25,t:10| Show InChI InChI=1S/C20H33N4O8P/c1-2-3-4-5-6-7-8-9-10-14-22-18-15(19(27)23-14)21-12-24(18)20-17(26)16(25)13(32-20)11-31-33(28,29)30/h12-13,16-17,20,25-26H,2-11H2,1H3,(H,22,23,27)(H2,28,29,30)/t13-,16-,17-,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405114 (CHEMBL4166645) Show SMILES Clc1ccc(cc1)C(N1C(=O)C=C(c2ccccc2)C11C=CC(=O)C=C1)C(=O)NC1CCCCC1 |c:23,27,t:12| Show InChI InChI=1S/C16H25N4O8P/c1-2-3-4-5-6-10-18-14-11(15(23)19-10)17-8-20(14)16-13(22)12(21)9(28-16)7-27-29(24,25)26/h8-9,12-13,16,21-22H,2-7H2,1H3,(H,18,19,23)(H2,24,25,26)/t9-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	105	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405032 (CHEMBL4159472) Show SMILES [H][C@@]12CC(=O)C=C[C@]11N([C@@H](C(=O)N2)c2ccc(cc2)[N+]([O-])=O)C(=O)C=C1c1ccccc1 |r,c:5,27| Show InChI InChI=1S/C17H21N3O6/c1-18-6-8-19(9-7-18)5-2-10-25-12-3-4-13-14(11-12)26-17(22)15(16(13)21)20(23)24/h3-4,11,21H,2,5-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405121 (CHEBI:64151 | CHEMBL1490875) Show SMILES Br.Br.NC(=N)SCCc1c[nH]cn1 Show InChI InChI=1S/C17H17N6O12PS/c24-12-10(4-34-36(31,32)33)35-16(13(12)25)21-6-18-11-14(21)19-17(20-15(11)26)37-5-7-1-8(22(27)28)3-9(2-7)23(29)30/h1-3,6,10,12-13,16,24-25H,4-5H2,(H,19,20,26)(H2,31,32,33)/t10-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0800	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50404995 (CHEMBL4162793) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C19H19FN8O5/c20-10-5-8(17(31)26-12(18(32)33)3-4-13(29)30)1-2-11(10)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405116 (CHEMBL4177416) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1cc(F)cc(F)c1 Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405117 (CHEMBL4170869) Show SMILES COc1ccc(cc1)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC1CCCCC1)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C19H31N4O8P/c1-2-3-4-5-6-7-8-9-13-21-17-14(18(26)22-13)20-11-23(17)19-16(25)15(24)12(31-19)10-30-32(27,28)29/h11-12,15-16,19,24-25H,2-10H2,1H3,(H,21,22,26)(H2,27,28,29)/t12-,15-,16-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405118 (CHEMBL4167482) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC1CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C18H29N4O8P/c1-2-3-4-5-6-7-8-12-20-16-13(17(25)21-12)19-10-22(16)18-15(24)14(23)11(30-18)9-29-31(26,27)28/h10-11,14-15,18,23-24H,2-9H2,1H3,(H,20,21,25)(H2,26,27,28)/t11-,14-,15-,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405122 (CHEMBL4159570) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C17H27N4O8P/c1-2-3-4-5-6-7-11-19-15-12(16(24)20-11)18-9-21(15)17-14(23)13(22)10(29-17)8-28-30(25,26)27/h9-10,13-14,17,22-23H,2-8H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405119 (CHEMBL4176601) Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(Br)cc2)cc(OC)c1OC Show InChI InChI=1S/C17H17ClN5O10PS/c18-8-3-7(23(27)28)2-1-6(8)5-35-17-21-14-10(16(26)22-17)19-15(20-14)13-12(25)11(24)9(33-13)4-32-34(29,30)31/h1-3,9,11-13,24-25H,4-5H2,(H2,29,30,31)(H2,19,20,21,22,26)/t9-,11-,12-,13?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405120 (CHEMBL4166098) Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2cccc(Cl)c2)cc(OC)c1OC Show InChI InChI=1S/C16H18N5O8P/c22-12-9(6-28-30(25,26)27)29-16(13(12)23)21-7-18-11-14(21)19-10(20-15(11)24)4-8-2-1-3-17-5-8/h1-3,5,7,9,12-13,16,22-23H,4,6H2,(H,19,20,24)(H2,25,26,27)/t9-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405123 (CHEMBL4175898) Show SMILES COc1ccc(NC2(C(=O)N(C3CCCCC3)C(=O)C2=Cc2ccccc2)c2cccc(Cl)c2)cc1OC Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-2-1-3-9(4-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405033 (CHEMBL4175106) Show SMILES COc1ccc(NC2(C(=O)N(C3CCCCC3)C(=O)C2=Cc2ccccc2)c2cc(F)cc(F)c2)cc1 Show InChI InChI=1S/C23H25N3O6/c27-22-19-8-7-18(15-20(19)32-23(28)21(22)26(29)30)31-14-4-9-24-10-12-25(13-11-24)16-17-5-2-1-3-6-17/h1-3,5-8,15,27H,4,9-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405029 (CHEMBL4169663) Show SMILES COc1ccc(cc1)C1=C(c2ccccc2)C2(C=CC(=O)C=C2)N(C(C(=O)NC2CCCCC2)c2cc3OCOc3cc2Br)C1=O |c:9,19,23| Show InChI InChI=1S/C23H24ClN3O6/c24-17-4-2-16(3-5-17)15-26-11-9-25(10-12-26)8-1-13-32-18-6-7-19-20(14-18)33-23(29)21(22(19)28)27(30)31/h2-7,14,28H,1,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50404953 (CHEMBL4165167) Show SMILES COC1=CC2(C=C(OC)C1=O)N(C(C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1OC)C(=O)C(=C2c1ccccc1)c1ccc(cc1)C(F)(F)F |c:39,t:2,5| Show InChI InChI=1S/C22H26N6O3S/c23-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(31-22)10-32-8-4-3-5-13-9-24-15-7-2-1-6-14(13)15/h1-2,6-7,9,11-12,16,18-19,22,24,29-30H,3-5,8,10H2,(H2,23,25,26)/t16-,18-,19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405121 (CHEBI:64151 | CHEMBL1490875) Show SMILES Br.Br.NC(=N)SCCc1c[nH]cn1 Show InChI InChI=1S/C17H17N6O12PS/c24-12-10(4-34-36(31,32)33)35-16(13(12)25)21-6-18-11-14(21)19-17(20-15(11)26)37-5-7-1-8(22(27)28)3-9(2-7)23(29)30/h1-3,6,10,12-13,16,24-25H,4-5H2,(H,19,20,26)(H2,31,32,33)/t10-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0800	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405122 (CHEMBL4159570) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C17H27N4O8P/c1-2-3-4-5-6-7-11-19-15-12(16(24)20-11)18-9-21(15)17-14(23)13(22)10(29-17)8-28-30(25,26)27/h9-10,13-14,17,22-23H,2-8H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50405123 (CHEMBL4175898) Show SMILES COc1ccc(NC2(C(=O)N(C3CCCCC3)C(=O)C2=Cc2ccccc2)c2cccc(Cl)c2)cc1OC Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-2-1-3-9(4-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50404954 (CHEMBL4165989) Show SMILES COc1ccc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H22N2O2S/c17-14(16(19)20)8-10-21-9-4-3-5-12-11-18-15-7-2-1-6-13(12)15/h1-2,6-7,11,14,18H,3-5,8-10,17H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...				Eur J Med Chem 152: 148-159 (2018) Article DOI: 10.1016/j.ejmech.2018.04.020 BindingDB Entry DOI: 10.7270/Q2QC063R
					More data for this Ligand-Target Pair