BDBM81454 CAS_3087850::NSC_3087850::St-600

SMILES: COC(CNC1CCc2cc(OC)c(OC)cc2C1)c1ccccc1

InChI Key: InChIKey=QWXYKBOVJZROBE-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 81454   

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-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81454 (CAS_3087850 | NSC_3087850 | St-600) Show SMILES COC(CNC1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 Show InChI InChI=1S/C21H27NO3/c1-23-19-12-16-9-10-18(11-17(16)13-20(19)24-2)22-14-21(25-3)15-7-5-4-6-8-15/h4-8,12-13,18,21-22H,9-11,14H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81454 (CAS_3087850 | NSC_3087850 | St-600) Show SMILES COC(CNC1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 Show InChI InChI=1S/C21H27NO3/c1-23-19-12-16-9-10-18(11-17(16)13-20(19)24-2)22-14-21(25-3)15-7-5-4-6-8-15/h4-8,12-13,18,21-22H,9-11,14H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ
					More data for this Ligand-Target Pair