BDBM50421516 CHEMBL319553

SMILES: CC(C)OC(=O)c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=OZXBSTCCARQDBM-UHFFFAOYSA-N

Data: 3 IC50  3 EC50

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 6 hits for monomerid = 50421516   

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))	BDBM50421516 (CHEMBL319553) Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against Alpha-1A adrenergic receptor in human				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50421516 (CHEMBL319553) Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50421516 (CHEMBL319553) Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421516 (CHEMBL319553) Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50421516 (CHEMBL319553) Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50421516 (CHEMBL319553) Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15| Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of binding against human Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 11: 2871-4 (2001) BindingDB Entry DOI: 10.7270/Q2CC1201
					More data for this Ligand-Target Pair