BDBM50074008 CHEMBL98430::N-[1'-[2-(2-methyl-1H-3-indolyl)ethyl]-4-oxospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-7-yl]methanesulfonamide

SMILES: Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2

InChI Key: InChIKey=MRBDOYSYHLKZAG-UHFFFAOYSA-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 = 50074008   

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 (Homo sapiens (Human))	BDBM50074008 (CHEMBL98430 | N-[1'-[2-(2-methyl-1H-3-indolyl)ethy...) Show SMILES Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 Show InChI InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50074008 (CHEMBL98430 | N-[1'-[2-(2-methyl-1H-3-indolyl)ethy...) Show SMILES Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 Show InChI InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50074008 (CHEMBL98430 | N-[1'-[2-(2-methyl-1H-3-indolyl)ethy...) Show SMILES Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 Show InChI InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair