Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM433474'   

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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM433474 (US10562853, Compound 1) Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1 Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]prazosin from alpha1 adrenergic receptor in rat cortex membranes measured after 30 mins by Microbeta2 scintillation counting meth...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00814 BindingDB Entry DOI: 10.7270/Q24T6NZT
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM433474 (US10562853, Compound 1) Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1 Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.9b00062 BindingDB Entry DOI: 10.7270/Q23F4T9H
					More data for this Ligand-Target Pair