BDBM50411351 CHEMBL242507

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1

InChI Key: InChIKey=FZQMRWTUMFXQNY-ZWKOTPCHSA-N

Data: 3 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50411351   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50411351 (CHEMBL242507) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1 Show InChI InChI=1S/C24H29N5O4/c1-14-8-9-19(33-14)23(30)28-10-11-29(18-7-5-4-6-17(18)28)24-26-16-13-21(32-3)20(31-2)12-15(16)22(25)27-24/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t17-,18+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.24	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity against adrenergic Alpha-1B receptor in rat spleen assessed as inhibition of phenylephrine-induced response				Bioorg Med Chem 15: 2334-45 (2007) Article DOI: 10.1016/j.bmc.2007.01.028 BindingDB Entry DOI: 10.7270/Q2G16229
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50411351 (CHEMBL242507) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1 Show InChI InChI=1S/C24H29N5O4/c1-14-8-9-19(33-14)23(30)28-10-11-29(18-7-5-4-6-17(18)28)24-26-16-13-21(32-3)20(31-2)12-15(16)22(25)27-24/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t17-,18+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity against adrenergic alpha-1A receptor in rat prostatic vas deferens assessed as inhibition of noradrenaline-induced contraction				Bioorg Med Chem 15: 2334-45 (2007) Article DOI: 10.1016/j.bmc.2007.01.028 BindingDB Entry DOI: 10.7270/Q2G16229
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50411351 (CHEMBL242507) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1 Show InChI InChI=1S/C24H29N5O4/c1-14-8-9-19(33-14)23(30)28-10-11-29(18-7-5-4-6-17(18)28)24-26-16-13-21(32-3)20(31-2)12-15(16)22(25)27-24/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t17-,18+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	91.2	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity against adrenergic Alpha-1D receptor in rat thoracic aorta assessed as noradrenaline-induced response				Bioorg Med Chem 15: 2334-45 (2007) Article DOI: 10.1016/j.bmc.2007.01.028 BindingDB Entry DOI: 10.7270/Q2G16229
					More data for this Ligand-Target Pair