BDBM50087474 9-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4-dione::CHEMBL291154

SMILES: COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12

InChI Key: InChIKey=ZIVFAPRHMPCVDA-WMLDXEAASA-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 = 50087474   

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))	BDBM50087474 (9-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C25H24ClN3O3S/c1-32-19-6-2-4-15-16(19)9-8-14-12-28(13-17(14)15)10-11-29-24(30)23-22(27-25(29)31)21-18(26)5-3-7-20(21)33-23/h2-7,14,17H,8-13H2,1H3,(H,27,31)/t14-,17+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor				J Med Chem 43: 1586-603 (2000) BindingDB Entry DOI: 10.7270/Q29C6WNR
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50087474 (9-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C25H24ClN3O3S/c1-32-19-6-2-4-15-16(19)9-8-14-12-28(13-17(14)15)10-11-29-24(30)23-22(27-25(29)31)21-18(26)5-3-7-20(21)33-23/h2-7,14,17H,8-13H2,1H3,(H,27,31)/t14-,17+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell				J Med Chem 43: 1586-603 (2000) BindingDB Entry DOI: 10.7270/Q29C6WNR
					More data for this Ligand-Target Pair
ADRA1B (C.H.O.)	BDBM50087474 (9-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C25H24ClN3O3S/c1-32-19-6-2-4-15-16(19)9-8-14-12-28(13-17(14)15)10-11-29-24(30)23-22(27-25(29)31)21-18(26)5-3-7-20(21)33-23/h2-7,14,17H,8-13H2,1H3,(H,27,31)/t14-,17+/m0/s1	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell				J Med Chem 43: 1586-603 (2000) BindingDB Entry DOI: 10.7270/Q29C6WNR
					More data for this Ligand-Target Pair