Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50538678'   

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))	BDBM50538678 (CHEMBL4642520) Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1 Show InChI InChI=1S/C27H35N4/c1-22-18-25(11-8-7-10-24-13-15-27(16-14-24)30(3)4)19-23(2)31(22)17-9-5-6-12-26-20-28-21-29-26/h7-8,10-11,13-16,18-21H,5-6,9,12,17H2,1-4H3,(H,28,29)/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50538678 (CHEMBL4642520) Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1 Show InChI InChI=1S/C27H35N4/c1-22-18-25(11-8-7-10-24-13-15-27(16-14-24)30(3)4)19-23(2)31(22)17-9-5-6-12-26-20-28-21-29-26/h7-8,10-11,13-16,18-21H,5-6,9,12,17H2,1-4H3,(H,28,29)/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50538678 (CHEMBL4642520) Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1 Show InChI InChI=1S/C27H35N4/c1-22-18-25(11-8-7-10-24-13-15-27(16-14-24)30(3)4)19-23(2)31(22)17-9-5-6-12-26-20-28-21-29-26/h7-8,10-11,13-16,18-21H,5-6,9,12,17H2,1-4H3,(H,28,29)/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair