BDBM50100227 3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione::CHEMBL291839

SMILES: COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12

InChI Key: InChIKey=CAEZRWQRXPFXAO-XJKSGUPXSA-N

Data: 3 KI

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 = 50100227   

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))	BDBM50100227 (3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C21H23N3O3S/c1-27-18-4-2-3-14-15(18)6-5-13-11-23(12-16(13)14)8-9-24-20(25)19-17(7-10-28-19)22-21(24)26/h2-4,7,10,13,16H,5-6,8-9,11-12H2,1H3,(H,22,26)/t13-,16+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound to rat alpha-1D adrenergic receptor expressed in LTK cells				J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50100227 (3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C21H23N3O3S/c1-27-18-4-2-3-14-15(18)6-5-13-11-23(12-16(13)14)8-9-24-20(25)19-17(7-10-28-19)22-21(24)26/h2-4,7,10,13,16H,5-6,8-9,11-12H2,1H3,(H,22,26)/t13-,16+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland				J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50100227 (3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C21H23N3O3S/c1-27-18-4-2-3-14-15(18)6-5-13-11-23(12-16(13)14)8-9-24-20(25)19-17(7-10-28-19)22-21(24)26/h2-4,7,10,13,16H,5-6,8-9,11-12H2,1H3,(H,22,26)/t13-,16+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to hamster alpha-1B adrenergic receptor				J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH
					More data for this Ligand-Target Pair