BDBM50408667 CHEMBL146601

SMILES: COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CN(C)C)o1

InChI Key: InChIKey=KYABJAUFLBOWPP-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 = 50408667   

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 adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408667 (CHEMBL146601) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CN(C)C)o1 Show InChI InChI=1S/C24H34N6O4S2/c1-28(2)15-16-7-8-19(34-16)23(31)29(3)9-11-35-36-12-10-30(4)24-26-18-14-21(33-6)20(32-5)13-17(18)22(25)27-24/h7-8,13-14H,9-12,15H2,1-6H3,(H2,25,26,27)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	53.7	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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50408667 (CHEMBL146601) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CN(C)C)o1 Show InChI InChI=1S/C24H34N6O4S2/c1-28(2)15-16-7-8-19(34-16)23(31)29(3)9-11-35-36-12-10-30(4)24-26-18-14-21(33-6)20(32-5)13-17(18)22(25)27-24/h7-8,13-14H,9-12,15H2,1-6H3,(H2,25,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	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-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50408667 (CHEMBL146601) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CN(C)C)o1 Show InChI InChI=1S/C24H34N6O4S2/c1-28(2)15-16-7-8-19(34-16)23(31)29(3)9-11-35-36-12-10-30(4)24-26-18-14-21(33-6)20(32-5)13-17(18)22(25)27-24/h7-8,13-14H,9-12,15H2,1-6H3,(H2,25,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.03	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