BDBM50474661 CHEMBL320765

SMILES: CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1

InChI Key: InChIKey=KARRRKRAFOPOBM-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 = 50474661   

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))	BDBM50474661 (CHEMBL320765) Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1 Show InChI InChI=1S/C16H21N3O2S/c1-3-22(20,21)19-15-9-5-6-12-13(15)7-4-8-14(12)16-10-17-11(2)18-16/h5-6,9-10,14,19H,3-4,7-8H2,1-2H3,(H,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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))	BDBM50474661 (CHEMBL320765) Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1 Show InChI InChI=1S/C16H21N3O2S/c1-3-22(20,21)19-15-9-5-6-12-13(15)7-4-8-14(12)16-10-17-11(2)18-16/h5-6,9-10,14,19H,3-4,7-8H2,1-2H3,(H,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	794	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 adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50474661 (CHEMBL320765) Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1 Show InChI InChI=1S/C16H21N3O2S/c1-3-22(20,21)19-15-9-5-6-12-13(15)7-4-8-14(12)16-10-17-11(2)18-16/h5-6,9-10,14,19H,3-4,7-8H2,1-2H3,(H,17,18)	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)	BDBM50474661 (CHEMBL320765) Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1 Show InChI InChI=1S/C16H21N3O2S/c1-3-22(20,21)19-15-9-5-6-12-13(15)7-4-8-14(12)16-10-17-11(2)18-16/h5-6,9-10,14,19H,3-4,7-8H2,1-2H3,(H,17,18)	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))	BDBM50474661 (CHEMBL320765) Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1 Show InChI InChI=1S/C16H21N3O2S/c1-3-22(20,21)19-15-9-5-6-12-13(15)7-4-8-14(12)16-10-17-11(2)18-16/h5-6,9-10,14,19H,3-4,7-8H2,1-2H3,(H,17,18)	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 (HAMSTER)	BDBM50474661 (CHEMBL320765) Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]c(C)n1 Show InChI InChI=1S/C16H21N3O2S/c1-3-22(20,21)19-15-9-5-6-12-13(15)7-4-8-14(12)16-10-17-11(2)18-16/h5-6,9-10,14,19H,3-4,7-8H2,1-2H3,(H,17,18)	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