Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50042230   

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 H1 receptor (Homo sapiens (Human))	BDBM22567 (3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...) Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM81471 (CAS_91-81-6 | NSC_5587 | Tripelennamine) Show SMILES CN(C)CCN(Cc1ccccc1)c1ccccn1 Show InChI InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422502 (CHEMBL158352) Show SMILES NCCCCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C14H27N3/c15-11-9-7-5-3-1-2-4-6-8-10-14-12-16-13-17-14/h12-13H,1-11,15H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422503 (CHEMBL157217) Show SMILES C(CCCCCc1cnc[nH]1)CCCCN1CCCC1 Show InChI InChI=1S/C17H31N3/c1(3-5-7-11-17-15-18-16-19-17)2-4-6-8-12-20-13-9-10-14-20/h15-16H,1-14H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422500 (CHEMBL157273) Show SMILES NCCCCCCCCCCCCc1ccncc1 Show InChI InChI=1S/C17H30N2/c18-14-10-8-6-4-2-1-3-5-7-9-11-17-12-15-19-16-13-17/h12-13,15-16H,1-11,14,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50407521 (CHEMBL94249) Show SMILES NCCCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C13H25N3/c14-10-8-6-4-2-1-3-5-7-9-13-11-15-12-16-13/h11-12H,1-10,14H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422494 (CHEMBL152126) Show SMILES C(CCCCc1cnc[nH]1)CCCN1CCCC1 Show InChI InChI=1S/C15H27N3/c1(3-5-9-15-13-16-14-17-15)2-4-6-10-18-11-7-8-12-18/h13-14H,1-12H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22864 (2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1...) Show SMILES NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1 Show InChI InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422495 (CHEMBL155188) Show SMILES NCCCCCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C15H29N3/c16-12-10-8-6-4-2-1-3-5-7-9-11-15-13-17-14-18-15/h13-14H,1-12,16H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50403672 (CHEMBL24665) Show SMILES NCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22865 (2-(2-aminoethyl)pyridine | 2-(pyridin-2-yl)ethan-1...) Show SMILES NCCc1ccccn1 Show InChI InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422497 (CHEMBL152122) Show SMILES NCCCCCCCCCCCCc1cccnc1 Show InChI InChI=1S/C17H30N2/c18-14-10-8-6-4-2-1-3-5-7-9-12-17-13-11-15-19-16-17/h11,13,15-16H,1-10,12,14,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422496 (CHEMBL156071) Show SMILES NCCCCCCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C16H31N3/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18-15-19-16/h14-15H,1-13,17H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422501 (CHEMBL345185) Show SMILES NCCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C12H23N3/c13-9-7-5-3-1-2-4-6-8-12-10-14-11-15-12/h10-11H,1-9,13H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422504 (CHEMBL155314) Show SMILES NCCCCCCCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C17H33N3/c18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-15-19-16-20-17/h15-16H,1-14,18H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM86172 (2-(3-Chlorophenyl)histamine) Show SMILES NCCc1cnc([nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C11H12ClN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422506 (CHEMBL157842) Show SMILES NCCCCCCCCCCc1cccnc1 Show InChI InChI=1S/C15H26N2/c16-12-8-6-4-2-1-3-5-7-10-15-11-9-13-17-14-15/h9,11,13-14H,1-8,10,12,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422493 (CHEMBL359122) Show SMILES NCCCCCCCCCCc1ccncc1 Show InChI InChI=1S/C15H26N2/c16-12-8-6-4-2-1-3-5-7-9-15-10-13-17-14-11-15/h10-11,13-14H,1-9,12,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50407520 (CHEMBL90063) Show SMILES NCCCCCCCCc1cnc[nH]1 Show InChI InChI=1S/C11H21N3/c12-8-6-4-2-1-3-5-7-11-9-13-10-14-11/h9-10H,1-8,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422499 (CHEMBL152221) Show SMILES C(CCCCCCc1cnc[nH]1)CCCCCN1CCCC1 Show InChI InChI=1S/C19H35N3/c1(3-5-7-9-13-19-17-20-18-21-19)2-4-6-8-10-14-22-15-11-12-16-22/h17-18H,1-16H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422498 (CHEMBL154566) Show SMILES NCCCCCCCCCc1ccccn1 Show InChI InChI=1S/C14H24N2/c15-12-8-5-3-1-2-4-6-10-14-11-7-9-13-16-14/h7,9,11,13H,1-6,8,10,12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50422505 (CHEMBL154068) Show SMILES NCCc1cnc([nH]1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H11Cl2N3/c12-9-2-1-7(5-10(9)13)11-15-6-8(16-11)3-4-14/h1-2,5-6H,3-4,14H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair