BDBM163857 US9062070, 2A::US9062070, 2B::US9062070, 2C::US9062070, 2D::US9062070, 2E::US9062070, 2F::US9062070, 2G::US9062070, 2H

SMILES: Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1

InChI Key: InChIKey=XWWASDINVKNEND-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 163857   

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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	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
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	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
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	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
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	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
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	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
Renal Outer Medullary Potassium (ROMK) (Rattus norvegicus (Rat))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	350	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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	390	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))	BDBM163857 (US9062070, 2A | US9062070, 2B | US9062070, 2C | US...) Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	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