Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50091348'   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50091348 (CHEMBL3582272) Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1 Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...				ACS Med Chem Lett 6: 502-6 (2015) Article DOI: 10.1021/ml5004298 BindingDB Entry DOI: 10.7270/Q2VM4DZM
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50091348 (CHEMBL3582272) Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1 Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...				ACS Med Chem Lett 6: 502-6 (2015) Article DOI: 10.1021/ml5004298 BindingDB Entry DOI: 10.7270/Q2VM4DZM
					More data for this Ligand-Target Pair