BDBM163802 US9062070, 57

SMILES: O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1

InChI Key: InChIKey=KWCOFABCDVCDID-BGKUMUJYSA-N

Data: 2 IC50

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 2 hits for monomerid = 163802   

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
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163802 (US9062070, 57) Show SMILES O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r| Show InChI InChI=1S/C25H25N7O4/c33-24(20-3-5-21-19(20)4-6-23(27-21)32-14-26-28-29-32)31-8-7-30-11-22(35-13-17(30)10-31)15-1-2-18-16(9-15)12-36-25(18)34/h1-2,4,6,9,14,17,20,22H,3,5,7-8,10-13H2/t17-,20?,22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	37
Merck Sharp & Dohme Corp. US Patent					Assay Description The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...				US Patent US9062070 (2015) BindingDB Entry DOI: 10.7270/Q2WQ02JX
					More data for this Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163802 (US9062070, 57) Show SMILES O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r| Show InChI InChI=1S/C25H25N7O4/c33-24(20-3-5-21-19(20)4-6-23(27-21)32-14-26-28-29-32)31-8-7-30-11-22(35-13-17(30)10-31)15-1-2-18-16(9-15)12-36-25(18)34/h1-2,4,6,9,14,17,20,22H,3,5,7-8,10-13H2/t17-,20?,22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9062070 (2015) BindingDB Entry DOI: 10.7270/Q2WQ02JX
					More data for this Ligand-Target Pair