BDBM50473671 CHEMBL71479

SMILES: Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O

InChI Key: InChIKey=NIILDWZATWLEEZ-UHFFFAOYSA-N

Data: 6 KI  5 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 11 hits for monomerid = 50473671   

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 (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-1D adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2C adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2B adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	141	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-2C adrenergic receptor assayed in CHO cells expressing human Alpha-2C adrenergic receptor				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1D adrenergic receptor				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1 adrenergic receptor				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50473671 (CHEMBL71479) Show SMILES Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C12H17N3O2S/c1-9-3-4-11(18(2,16)17)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-2A stably expressed in CHO cells.				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair