BDBM50456840 CHEMBL4207824

SMILES: Cl.CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F

InChI Key: InChIKey=ZBQKMYZRBNKIGW-NTISSMGPSA-N

Data: 3 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 3 hits for monomerid = 50456840   

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 adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50456840 (CHEMBL4207824) Show SMILES Cl.CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456840 (CHEMBL4207824) Show SMILES Cl.CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50456840 (CHEMBL4207824) Show SMILES Cl.CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair