Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50139312'   

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 (Rattus norvegicus (rat))	BDBM50139312 (CHEMBL160729 | Furan-2-carboxylic acid [(R)-2-(4-{...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1 Show InChI InChI=1S/C29H30FN5O5/c1-20(31-27(36)25-9-5-17-39-25)29(37)35-15-13-34(14-16-35)12-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-3-2-4-8-21/h2-5,7-11,17,19-20H,6,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for human histamine H3 receptor on human colon cells				Bioorg Med Chem Lett 14: 673-6 (2004) BindingDB Entry DOI: 10.7270/Q2H994MH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50139312 (CHEMBL160729 | Furan-2-carboxylic acid [(R)-2-(4-{...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1 Show InChI InChI=1S/C29H30FN5O5/c1-20(31-27(36)25-9-5-17-39-25)29(37)35-15-13-34(14-16-35)12-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-3-2-4-8-21/h2-5,7-11,17,19-20H,6,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for rat histamine H3 receptor on rat cortical cells				Bioorg Med Chem Lett 14: 673-6 (2004) BindingDB Entry DOI: 10.7270/Q2H994MH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50139312 (CHEMBL160729 | Furan-2-carboxylic acid [(R)-2-(4-{...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1 Show InChI InChI=1S/C29H30FN5O5/c1-20(31-27(36)25-9-5-17-39-25)29(37)35-15-13-34(14-16-35)12-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-3-2-4-8-21/h2-5,7-11,17,19-20H,6,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for rat histamine H3 receptor on rat cortical cells				Bioorg Med Chem Lett 14: 673-6 (2004) BindingDB Entry DOI: 10.7270/Q2H994MH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50139312 (CHEMBL160729 | Furan-2-carboxylic acid [(R)-2-(4-{...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1 Show InChI InChI=1S/C29H30FN5O5/c1-20(31-27(36)25-9-5-17-39-25)29(37)35-15-13-34(14-16-35)12-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-3-2-4-8-21/h2-5,7-11,17,19-20H,6,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for human histamine H3 receptor on human colon cells				Bioorg Med Chem Lett 14: 673-6 (2004) BindingDB Entry DOI: 10.7270/Q2H994MH
					More data for this Ligand-Target Pair