BDBM50474635 CHEMBL109827

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

InChI Key: InChIKey=QBGRLRJVZIAFPH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50474635   

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))	BDBM50474635 (CHEMBL109827) Show SMILES COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O2/c1-20-15(19)18-13-7-3-4-10-11(13)5-2-6-12(10)14-8-16-9-17-14/h3-4,7-9,12H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	91	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
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50474635 (CHEMBL109827) Show SMILES COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O2/c1-20-15(19)18-13-7-3-4-10-11(13)5-2-6-12(10)14-8-16-9-17-14/h3-4,7-9,12H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	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 bovine 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))	BDBM50474635 (CHEMBL109827) Show SMILES COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O2/c1-20-15(19)18-13-7-3-4-10-11(13)5-2-6-12(10)14-8-16-9-17-14/h3-4,7-9,12H,2,5-6H2,1H3,(H,16,17)(H,18,19)	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-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
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50474635 (CHEMBL109827) Show SMILES COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O2/c1-20-15(19)18-13-7-3-4-10-11(13)5-2-6-12(10)14-8-16-9-17-14/h3-4,7-9,12H,2,5-6H2,1H3,(H,16,17)(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	3.02E+3	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)	BDBM50474635 (CHEMBL109827) Show SMILES COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O2/c1-20-15(19)18-13-7-3-4-10-11(13)5-2-6-12(10)14-8-16-9-17-14/h3-4,7-9,12H,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
adrenergic Alpha1 (HAMSTER)	BDBM50474635 (CHEMBL109827) Show SMILES COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C15H17N3O2/c1-20-15(19)18-13-7-3-4-10-11(13)5-2-6-12(10)14-8-16-9-17-14/h3-4,7-9,12H,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