BDBM50474671 CHEMBL111554

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

InChI Key: InChIKey=FTWWLMPVXHMPNP-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 = 50474671   

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-2A adrenergic receptor (Homo sapiens (Human))	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	195	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-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	195	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
Adrenergic receptor alpha (NEONATAL RAT)	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	676	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
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+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))	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.59E+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)	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.68E+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-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
adrenergic Alpha1 (HAMSTER)	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	GoogleScholar AffyNet	PC cid PC sid UniChem	Article	4.68E+3	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 1B (Rattus norvegicus (rat))	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	5.13E+3	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
adrenergic Alpha1 (RABBIT)	BDBM50474671 (CHEMBL111554) Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1 Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	447	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