BDBM50087493 7-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2-methyl-5H-9-thia-1,4,5,7-tetraaza-fluorene-6,8-dione::CHEMBL297218

SMILES: COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(C)nc6sc5c4=O)C[C@@H]3CCc12

InChI Key: InChIKey=UHWMKXZEHKUXCT-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 = 50087493   

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))	BDBM50087493 (7-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(C)nc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C24H25N5O3S/c1-13-10-25-20-19-21(33-22(20)26-13)23(30)29(24(31)27-19)9-8-28-11-14-6-7-16-15(17(14)12-28)4-3-5-18(16)32-2/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,27,31)/t14-,17+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.490	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))	BDBM50087493 (7-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(C)nc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C24H25N5O3S/c1-13-10-25-20-19-21(33-22(20)26-13)23(30)29(24(31)27-19)9-8-28-11-14-6-7-16-15(17(14)12-28)4-3-5-18(16)32-2/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,27,31)/t14-,17+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.31	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.)	BDBM50087493 (7-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(C)nc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C24H25N5O3S/c1-13-10-25-20-19-21(33-22(20)26-13)23(30)29(24(31)27-19)9-8-28-11-14-6-7-16-15(17(14)12-28)4-3-5-18(16)32-2/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,27,31)/t14-,17+/m0/s1	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13.5	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