BDBM50403743 CHEMBL162058

SMILES: COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC

InChI Key: InChIKey=MBPZQLMDDBIIGZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50403743   

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 (Homo sapiens (Human))	BDBM50403743 (CHEMBL162058) Show SMILES COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC Show InChI InChI=1S/C24H25N3O4/c1-15-16(24(28)27-14-22(30-3)21(29-2)12-23(27)25-15)8-10-26-11-9-20-18(13-26)17-6-4-5-7-19(17)31-20/h4-7,12,14H,8-11,13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-1A adrenergic receptor in CHO cells uby [3H]prazosin (0.25 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50403743 (CHEMBL162058) Show SMILES COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC Show InChI InChI=1S/C24H25N3O4/c1-15-16(24(28)27-14-22(30-3)21(29-2)12-23(27)25-15)8-10-26-11-9-20-18(13-26)17-6-4-5-7-19(17)31-20/h4-7,12,14H,8-11,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-2B adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50403743 (CHEMBL162058) Show SMILES COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC Show InChI InChI=1S/C24H25N3O4/c1-15-16(24(28)27-14-22(30-3)21(29-2)12-23(27)25-15)8-10-26-11-9-20-18(13-26)17-6-4-5-7-19(17)31-20/h4-7,12,14H,8-11,13H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50403743 (CHEMBL162058) Show SMILES COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC Show InChI InChI=1S/C24H25N3O4/c1-15-16(24(28)27-14-22(30-3)21(29-2)12-23(27)25-15)8-10-26-11-9-20-18(13-26)17-6-4-5-7-19(17)31-20/h4-7,12,14H,8-11,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
					More data for this Ligand-Target Pair