BDBM50417063 CHEMBL503007

SMILES: COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=CLVNHGRETDEYIG-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50417063   

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 (Rattus norvegicus (Rat))	BDBM50417063 (CHEMBL503007) Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1A receptor in rat brain				Bioorg Med Chem Lett 20: 6152-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.101 BindingDB Entry DOI: 10.7270/Q2DV1M51
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50417063 (CHEMBL503007) Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at adrenergic Alpha-1D receptor in rat aorta				Bioorg Med Chem Lett 20: 6152-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.101 BindingDB Entry DOI: 10.7270/Q2DV1M51
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50417063 (CHEMBL503007) Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1A receptor in rat tail artery				Bioorg Med Chem Lett 20: 6152-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.101 BindingDB Entry DOI: 10.7270/Q2DV1M51
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50417063 (CHEMBL503007) Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen				Bioorg Med Chem Lett 20: 6152-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.101 BindingDB Entry DOI: 10.7270/Q2DV1M51
					More data for this Ligand-Target Pair