Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50003642   

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))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 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 MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474242 (CHEMBL106931) Show SMILES NC[C@@H]1CC[C@H](O1)c1c[nH]cn1 Show InChI InChI=1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474240 (Imifuramine) Show SMILES NC[C@H]1CC[C@@H](O1)c1c[nH]cn1 Show InChI InChI=1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474250 (CHEMBL105803) Show SMILES C(OCc1ccccc1)[C@H]1CC[C@@H](O1)c1c[nH]cn1 Show InChI InChI=1S/C15H18N2O2/c1-2-4-12(5-3-1)9-18-10-13-6-7-15(19-13)14-8-16-11-17-14/h1-5,8,11,13,15H,6-7,9-10H2,(H,16,17)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474252 (CHEMBL320331) Show SMILES C(OCc1ccccc1)[C@@H]1CC[C@@H](O1)c1c[nH]cn1 Show InChI InChI=1S/C15H18N2O2/c1-2-4-12(5-3-1)9-18-10-13-6-7-15(19-13)14-8-16-11-17-14/h1-5,8,11,13,15H,6-7,9-10H2,(H,16,17)/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474247 (CHEMBL109130) Show SMILES NC[C@@H]1O[C@H](C=C1)c1c[nH]cn1 |c:5| Show InChI InChI=1S/C8H11N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h1-2,4-6,8H,3,9H2,(H,10,11)/t6-,8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474244 (CHEMBL106913) Show SMILES NC[C@H]1CC[C@H](O1)c1c[nH]cn1 Show InChI InChI=1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474248 (CHEMBL321920) Show SMILES NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1 Show InChI InChI=1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50170163 (CHEMBL321860) Show SMILES C\N=C(\NC[C@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474246 (CHEMBL319658) Show SMILES NC[C@H]1O[C@@H](C=C1)c1c[nH]cn1 |c:5| Show InChI InChI=1S/C8H11N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h1-2,4-6,8H,3,9H2,(H,10,11)/t6-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474253 (CHEMBL1632410) Show SMILES C(OCc1ccccc1)[C@H]1CC[C@H](O1)c1c[nH]cn1 |r| Show InChI InChI=1S/C15H18N2O2/c1-2-4-12(5-3-1)9-18-10-13-6-7-15(19-13)14-8-16-11-17-14/h1-5,8,11,13,15H,6-7,9-10H2,(H,16,17)/t13-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474249 (CHEMBL106158) Show SMILES C\N=C(\NC[C@@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474251 (CHEMBL108649) Show SMILES C\N=C(\NC[C@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474245 (CHEMBL320279) Show SMILES NC[C@H]1O[C@H](C=C1)c1c[nH]cn1 |c:5| Show InChI InChI=1S/C8H11N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h1-2,4-6,8H,3,9H2,(H,10,11)/t6-,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair