BDBM50016885 1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-7-ol::CHEMBL162282

SMILES: CCCN1CCC[C@H]2[C@H]1COc1cc(O)ccc21

InChI Key: InChIKey=CQEATFKLDYHKCI-TZMCWYRMSA-N

Data: 3 IC50

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 = 50016885   

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
adrenergic Alpha2 (BOVINE)	BDBM50016885 (1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...) Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cc(O)ccc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-6-5-11(17)9-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H]-clonidine binding to alpha-2 adrenergic receptor at 1 uM				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Dopamine receptor (BOVINE)	BDBM50016885 (1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...) Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cc(O)ccc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-6-5-11(17)9-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine recepto...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Dopamine receptor (BOVINE)	BDBM50016885 (1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...) Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cc(O)ccc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-6-5-11(17)9-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H]spiperone binding dopamine receptor at 1 uM				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair