BDBM25758 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide::Albetol::Labetolol::Normodyne::labetalol

SMILES: CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O

InChI Key: InChIKey=SGUAFYQXFOLMHL-UHFFFAOYSA-N

Data: 4 KI  2 IC50  9 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 15 hits for monomerid = 25758   

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
Dipeptidyl peptidase 3 (Bos mutus)	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...				Citation and Details Article DOI: 10.1007/s00044-010-9454-7 BindingDB Entry DOI: 10.7270/Q2Z60RZ1
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	12.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Niigata College of Pharmacy Curated by PDSP Ki Database									Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	67.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Niigata College of Pharmacy Curated by PDSP Ki Database									Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Niigata College of Pharmacy Curated by PDSP Ki Database									Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for norepinephrine as agonist.				J Med Chem 25: 670-9 (1982) BindingDB Entry DOI: 10.7270/Q2T1555M
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for norepinephrine as agonist.				J Med Chem 25: 670-9 (1982) BindingDB Entry DOI: 10.7270/Q2T1555M
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	32	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
Heparanase (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	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-2 adrenergic receptor.				J Med Chem 29: 1009-15 (1986) BindingDB Entry DOI: 10.7270/Q2GF0VPR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for norepinephrine as agonist.				J Med Chem 25: 670-9 (1982) BindingDB Entry DOI: 10.7270/Q2T1555M
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	661	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 3 (Bos mutus)	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article	n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate				Citation and Details Article DOI: 10.1007/s00044-010-9454-7 BindingDB Entry DOI: 10.7270/Q2Z60RZ1
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	23.5	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair