BDBM50099461 CHEMBL3342871

SMILES: COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1

InChI Key: InChIKey=YGIDWKQNKMDZJW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50099461   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50099461 (CHEMBL3342871) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1 Show InChI InChI=1S/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099461 (CHEMBL3342871) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1 Show InChI InChI=1S/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099461 (CHEMBL3342871) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1 Show InChI InChI=1S/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50099461 (CHEMBL3342871) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1 Show InChI InChI=1S/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair