BDBM247044 3-((1R,3aR,6S, 7R,7aS)-7 -((E)- 2- (2'-cyano-[3,3'- bipyridin]-6- yl)vinyl)-5,5- difluoro-1,6- dimethyl-3- oxooctahydro- isobenzofuran- 3a- yl)propanamide::US9701669, 15

SMILES: C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12

InChI Key: InChIKey=ABPKHQVFYTVEEG-YDEUYYDZSA-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 = 247044   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM247044 (3-((1R,3aR,6S, 7R,7aS)-7 -((E)- 2- (2'-cyano-[...) Show SMILES C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r| Show InChI InChI=1S/C26H26F2N4O3/c1-15-19(8-7-18-6-5-17(13-32-18)20-4-3-11-31-21(20)12-29)23-16(2)35-24(34)25(23,10-9-22(30)33)14-26(15,27)28/h3-8,11,13,15-16,19,23H,9-10,14H2,1-2H3,(H2,30,33)/b8-7+/t15-,16+,19-,23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Drug cardiac arrhythmia is an important safety concern for pharmaceutical development and health regulatory authorities. Blockade of heterologously-e...				US Patent US9701669 (2017) BindingDB Entry DOI: 10.7270/Q2PC34DS
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2 (Homo sapiens (Human))	BDBM247044 (3-((1R,3aR,6S, 7R,7aS)-7 -((E)- 2- (2'-cyano-[...) Show SMILES C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r| Show InChI InChI=1S/C26H26F2N4O3/c1-15-19(8-7-18-6-5-17(13-32-18)20-4-3-11-31-21(20)12-29)23-16(2)35-24(34)25(23,10-9-22(30)33)14-26(15,27)28/h3-8,11,13,15-16,19,23H,9-10,14H2,1-2H3,(H2,30,33)/b8-7+/t15-,16+,19-,23-,25+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...				US Patent US9701669 (2017) BindingDB Entry DOI: 10.7270/Q2PC34DS
					More data for this Ligand-Target Pair