BDBM50087465 (Cis)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::(R,R)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::(S,S)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::(Trans)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::CHEMBL289361

SMILES: COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12

InChI Key: InChIKey=ZDDVINUQFJEMFL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50087465   

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))	BDBM50087465 ((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...) Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12 Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	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
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50087465 ((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...) Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12 Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50087465 ((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...) Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12 Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.640	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-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50087465 ((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...) Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12 Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.08	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
ADRA1B (C.H.O.)	BDBM50087465 ((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...) Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12 Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.57	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
ADRA1B (C.H.O.)	BDBM50087465 ((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...) Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12 Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.43	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