BDBM50405385 CHEMBL7585

SMILES: CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1

InChI Key: InChIKey=DEXHZSZLIVQAPC-UHFFFAOYSA-N

Data: 3 Kd

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 = 50405385   

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
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50405385 (CHEMBL7585) Show SMILES CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 Show InChI InChI=1S/C21H25N3O2/c1-14(7-8-15-5-3-2-4-6-15)24-13-19(25)17-11-16-9-10-23-20(16)18(12-17)21(22)26/h2-6,9-12,14,19,23-25H,7-8,13H2,1H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the antagonistic activity against beta-1 adrenergic receptor				J Med Chem 29: 1009-15 (1986) BindingDB Entry DOI: 10.7270/Q2GF0VPR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50405385 (CHEMBL7585) Show SMILES CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 Show InChI InChI=1S/C21H25N3O2/c1-14(7-8-15-5-3-2-4-6-15)24-13-19(25)17-11-16-9-10-23-20(16)18(12-17)21(22)26/h2-6,9-12,14,19,23-25H,7-8,13H2,1H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the antagonistic activity against beta-1 adrenergic receptor				J Med Chem 29: 1009-15 (1986) BindingDB Entry DOI: 10.7270/Q2GF0VPR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50405385 (CHEMBL7585) Show SMILES CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 Show InChI InChI=1S/C21H25N3O2/c1-14(7-8-15-5-3-2-4-6-15)24-13-19(25)17-11-16-9-10-23-20(16)18(12-17)21(22)26/h2-6,9-12,14,19,23-25H,7-8,13H2,1H3,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the antagonistic activity against beta-2 adrenergic receptor.				J Med Chem 29: 1009-15 (1986) BindingDB Entry DOI: 10.7270/Q2GF0VPR
					More data for this Ligand-Target Pair