BDBM50475953 CHEMBL384564

SMILES: CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1

InChI Key: InChIKey=UTHUTBNOTJCXJO-UONOGXRCSA-N

Data: 3 EC50

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 = 50475953   

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
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11 (Homo sapiens (Human))	BDBM50475953 (CHEMBL384564) Show SMILES CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,16| Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17-16(18(23)25-13)14(8-3-4-10(20)9(19)5-8)15-11(21-17)6-24-7-12(15)22/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	145	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay				J Med Chem 49: 6869-87 (2006) Article DOI: 10.1021/jm060549u BindingDB Entry DOI: 10.7270/Q2X069S9
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11 (Homo sapiens (Human))	BDBM50475953 (CHEMBL384564) Show SMILES CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,16| Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17-16(18(23)25-13)14(8-3-4-10(20)9(19)5-8)15-11(21-17)6-24-7-12(15)22/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay				J Med Chem 49: 6869-87 (2006) Article DOI: 10.1021/jm060549u BindingDB Entry DOI: 10.7270/Q2X069S9
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11 (Homo sapiens (Human))	BDBM50475953 (CHEMBL384564) Show SMILES CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,16| Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17-16(18(23)25-13)14(8-3-4-10(20)9(19)5-8)15-11(21-17)6-24-7-12(15)22/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay				J Med Chem 49: 6869-87 (2006) Article DOI: 10.1021/jm060549u BindingDB Entry DOI: 10.7270/Q2X069S9
					More data for this Ligand-Target Pair