null

SMILES: [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31

InChI Key: InChIKey=HOTTYHVEFWTDND-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50195274   

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))	BDBM50195274 (CHEMBL3892879) Show SMILES [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r| Show InChI InChI=1S/C21H20N2O3/c1-24-13-2-3-17-15(7-13)16-8-19-14-9-21-20(25-11-26-21)6-12(14)4-5-23(19)10-18(16)22-17/h2-3,6-7,9,19,22H,4-5,8,10-11H2,1H3/t19-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat urethra assessed as inhibition of norepinephrine-induced smooth muscle contraction ...				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50195274 (CHEMBL3892879) Show SMILES [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r| Show InChI InChI=1S/C21H20N2O3/c1-24-13-2-3-17-15(7-13)16-8-19-14-9-21-20(25-11-26-21)6-12(14)4-5-23(19)10-18(16)22-17/h2-3,6-7,9,19,22H,4-5,8,10-11H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human full-length N-terminal SNAP-tagged alpha1D adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50195274 (CHEMBL3892879) Show SMILES [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r| Show InChI InChI=1S/C21H20N2O3/c1-24-13-2-3-17-15(7-13)16-8-19-14-9-21-20(25-11-26-21)6-12(14)4-5-23(19)10-18(16)22-17/h2-3,6-7,9,19,22H,4-5,8,10-11H2,1H3/t19-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human full-length N-terminal SNAP-tagged alpha1B adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50195274 (CHEMBL3892879) Show SMILES [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r| Show InChI InChI=1S/C21H20N2O3/c1-24-13-2-3-17-15(7-13)16-8-19-14-9-21-20(25-11-26-21)6-12(14)4-5-23(19)10-18(16)22-17/h2-3,6-7,9,19,22H,4-5,8,10-11H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human full-length N-terminal SNAP-tagged alpha1A adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50195274 (CHEMBL3892879) Show SMILES [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r| Show InChI InChI=1S/C21H20N2O3/c1-24-13-2-3-17-15(7-13)16-8-19-14-9-21-20(25-11-26-21)6-12(14)4-5-23(19)10-18(16)22-17/h2-3,6-7,9,19,22H,4-5,8,10-11H2,1H3/t19-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50195274 (CHEMBL3892879) Show SMILES [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r| Show InChI InChI=1S/C21H20N2O3/c1-24-13-2-3-17-15(7-13)16-8-19-14-9-21-20(25-11-26-21)6-12(14)4-5-23(19)10-18(16)22-17/h2-3,6-7,9,19,22H,4-5,8,10-11H2,1H3/t19-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat aorta assessed as inhibition of norepinephrine-induced smooth muscle contraction af...				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
					More data for this Ligand-Target Pair