BDBM50474648 CHEMBL109848

SMILES: CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1

InChI Key: InChIKey=SXPWQXVCFMMCEE-UHFFFAOYSA-N

Data: 8 KI  2 EC50

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 10 hits for monomerid = 50474648   

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))	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	525	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 towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	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 towards alpha-2A adrenergic receptor of human clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (NEONATAL RAT)	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.02E+3	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 towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
adrenergic Alpha1 (HAMSTER)	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	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 towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
adrenergic Alpha1 (HAMSTER)	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	GoogleScholar AffyNet	PC cid PC sid UniChem	Article	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Cricetinae (hamster) alpha1B adrenoreceptor by radioligand displacement assay				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	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 towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
adrenergic Alpha1 (RABBIT)	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha1A adrenoreceptor in Oryctolagus cuniculus (rabbit) urethra				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50474648 (CHEMBL109848) Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair