BDBM50470943 CHEMBL133451

SMILES: [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1

InChI Key: InChIKey=OQFCXJDXHCDLHX-NSHDSACASA-N

Data: 4 KI  4 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 8 hits for monomerid = 50470943   

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))	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1A adrenergic receptor in rat submaxillary glands				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards bovine clonal Alpha-1A adrenergic receptor				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards rat clonal Alpha-1D adrenergic receptor				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair
adrenergic Alpha1 (HAMSTER)	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards hamster clonal Alpha-1B adrenergic receptor				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro agonist potency towards Alpha-1D adrenergic receptor in rat aorta				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50470943 (CHEMBL133451) Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro agonist potency towards Alpha-1A adrenergic receptor in canine prostate				J Med Chem 39: 4116-9 (1996) Article DOI: 10.1021/jm960354u BindingDB Entry DOI: 10.7270/Q2FN18WJ
					More data for this Ligand-Target Pair