BDBM50408672 CHEMBL144000

SMILES: CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1

InChI Key: InChIKey=VDSSOFQYDAIUHS-UHFFFAOYSA-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 = 50408672   

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-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50408672 (CHEMBL144000) Show SMILES CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C34H53N7O3/c1-36-18-11-7-8-12-19-39(2)25-26-16-15-17-27(22-26)33(42)40(3)20-13-9-10-14-21-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-17,22-24,36H,7-14,18-21,25H2,1-6H3,(H2,35,37,38)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of norepinephrine induced contraction of rat isolated thoracic aorta.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50408672 (CHEMBL144000) Show SMILES CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C34H53N7O3/c1-36-18-11-7-8-12-19-39(2)25-26-16-15-17-27(22-26)33(42)40(3)20-13-9-10-14-21-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-17,22-24,36H,7-14,18-21,25H2,1-6H3,(H2,35,37,38)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of the norepinephrine induced contraction of rat isolated prostatic vas deferens.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408672 (CHEMBL144000) Show SMILES CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C34H53N7O3/c1-36-18-11-7-8-12-19-39(2)25-26-16-15-17-27(22-26)33(42)40(3)20-13-9-10-14-21-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-17,22-24,36H,7-14,18-21,25H2,1-6H3,(H2,35,37,38)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	19.5	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair