BDBM50417538 CHEMBL1630942

SMILES: COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O

InChI Key: InChIKey=QXNTWXQFMCUIBK-LPMFXHHGSA-N

Data: 3 KI  2 Kd

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 5 hits for monomerid = 50417538   

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))	BDBM50417538 (CHEMBL1630942) Show SMILES COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r| Show InChI InChI=1S/C20H26N2O5S/c1-13(10-15-8-9-18(25-3)20(11-15)28(21,23)24)22-12-19-14(2)26-16-6-4-5-7-17(16)27-19/h4-9,11,13-14,19,22H,10,12H2,1-3H3,(H2,21,23,24)/t13-,14-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cells				Eur J Med Chem 45: 5800-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.042 BindingDB Entry DOI: 10.7270/Q2TX3GNT
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50417538 (CHEMBL1630942) Show SMILES COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r| Show InChI InChI=1S/C20H26N2O5S/c1-13(10-15-8-9-18(25-3)20(11-15)28(21,23)24)22-12-19-14(2)26-16-6-4-5-7-17(16)27-19/h4-9,11,13-14,19,22H,10,12H2,1-3H3,(H2,21,23,24)/t13-,14-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cells				Eur J Med Chem 45: 5800-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.042 BindingDB Entry DOI: 10.7270/Q2TX3GNT
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50417538 (CHEMBL1630942) Show SMILES COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r| Show InChI InChI=1S/C20H26N2O5S/c1-13(10-15-8-9-18(25-3)20(11-15)28(21,23)24)22-12-19-14(2)26-16-6-4-5-7-17(16)27-19/h4-9,11,13-14,19,22H,10,12H2,1-3H3,(H2,21,23,24)/t13-,14-,19+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cells				Eur J Med Chem 45: 5800-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.042 BindingDB Entry DOI: 10.7270/Q2TX3GNT
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50417538 (CHEMBL1630942) Show SMILES COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r| Show InChI InChI=1S/C20H26N2O5S/c1-13(10-15-8-9-18(25-3)20(11-15)28(21,23)24)22-12-19-14(2)26-16-6-4-5-7-17(16)27-19/h4-9,11,13-14,19,22H,10,12H2,1-3H3,(H2,21,23,24)/t13-,14-,19+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	16.2	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at alpha1A adrenoceptor in Wistar rat vas deferans assessed as noradrenaline induced contractions after 30 mins				Eur J Med Chem 45: 5800-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.042 BindingDB Entry DOI: 10.7270/Q2TX3GNT
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50417538 (CHEMBL1630942) Show SMILES COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r| Show InChI InChI=1S/C20H26N2O5S/c1-13(10-15-8-9-18(25-3)20(11-15)28(21,23)24)22-12-19-14(2)26-16-6-4-5-7-17(16)27-19/h4-9,11,13-14,19,22H,10,12H2,1-3H3,(H2,21,23,24)/t13-,14-,19+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	21.4	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at Alpha-1D adrenoceptor in Wistar rat thoracic aorta assessed as noradrenaline induced contractions after 30 mins				Eur J Med Chem 45: 5800-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.042 BindingDB Entry DOI: 10.7270/Q2TX3GNT
					More data for this Ligand-Target Pair