BindingDB logo
myBDB logout

BDBM163806 US9062070, 61::US9062070, 62

SMILES: Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1

InChI Key: InChIKey=JSPLQWFEUZGCGU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 163806   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163806
PNG
(US9062070, 61 | US9062070, 62)
Show SMILES Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H29N7O4/c1-16-18(2-3-21-22(16)14-38-27(21)36)24-13-32-9-10-33(12-17(32)8-11-37-24)26(35)20-4-6-23-19(20)5-7-25(29-23)34-15-28-30-31-34/h2-3,5,7,15,17,20,24H,4,6,8-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 190n/an/an/an/a7.4n/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
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163806
PNG
(US9062070, 61 | US9062070, 62)
Show SMILES Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H29N7O4/c1-16-18(2-3-21-22(16)14-38-27(21)36)24-13-32-9-10-33(12-17(32)8-11-37-24)26(35)20-4-6-23-19(20)5-7-25(29-23)34-15-28-30-31-34/h2-3,5,7,15,17,20,24H,4,6,8-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 450n/an/an/an/an/a37



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
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163806
PNG
(US9062070, 61 | US9062070, 62)
Show SMILES Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H29N7O4/c1-16-18(2-3-21-22(16)14-38-27(21)36)24-13-32-9-10-33(12-17(32)8-11-37-24)26(35)20-4-6-23-19(20)5-7-25(29-23)34-15-28-30-31-34/h2-3,5,7,15,17,20,24H,4,6,8-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 140n/an/an/an/an/a37



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
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163806
PNG
(US9062070, 61 | US9062070, 62)
Show SMILES Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H29N7O4/c1-16-18(2-3-21-22(16)14-38-27(21)36)24-13-32-9-10-33(12-17(32)8-11-37-24)26(35)20-4-6-23-19(20)5-7-25(29-23)34-15-28-30-31-34/h2-3,5,7,15,17,20,24H,4,6,8-14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 130n/an/an/an/a7.4n/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