BDBM50099457 CHEMBL3342867

SMILES: COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1

InChI Key: InChIKey=JEFXBWCRLKDZEO-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 = 50099457   

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))	BDBM50099457 (CHEMBL3342867) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1 Show InChI InChI=1S/C14H8N4O4/c19-13-12-15-8(14(20)21)5-18(12)11-9(16-13)6-3-1-2-4-7(6)10(11)17-22/h1-5,15,19H,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50099457 (CHEMBL3342867) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1 Show InChI InChI=1S/C14H8N4O4/c19-13-12-15-8(14(20)21)5-18(12)11-9(16-13)6-3-1-2-4-7(6)10(11)17-22/h1-5,15,19H,(H,20,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.30	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50099457 (CHEMBL3342867) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1 Show InChI InChI=1S/C14H8N4O4/c19-13-12-15-8(14(20)21)5-18(12)11-9(16-13)6-3-1-2-4-7(6)10(11)17-22/h1-5,15,19H,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099457 (CHEMBL3342867) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1 Show InChI InChI=1S/C14H8N4O4/c19-13-12-15-8(14(20)21)5-18(12)11-9(16-13)6-3-1-2-4-7(6)10(11)17-22/h1-5,15,19H,(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	27	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