BDBM247047 (S and R)-2- ((1R,3aR,6S, 7R,7aS)-7- ((E)-2-(5-(2- cyanophenyl) pyridin-2- yl)vinyl)- 5,5-difluoro- 1,6-dimethyl-3- oxooctahydro- isobenzofuran- 3a-yl)-2- hydroxyacetamide::US9701669, 20

SMILES: C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(O)C(N)=O

InChI Key: InChIKey=UZVGVKOQRBQHDQ-LHCDKGINSA-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 = 247047   

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))	BDBM247047 ((S and R)-2- ((1R,3aR,6S, 7R,7aS)-7- ((E)-2-(5-(2-...) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(O)C(N)=O |r| Show InChI InChI=1S/C26H25F2N3O4/c1-14-19(10-9-18-8-7-17(12-31-18)20-6-4-3-5-16(20)11-29)21-15(2)35-24(34)25(21,13-26(14,27)28)22(32)23(30)33/h3-10,12,14-15,19,21-22,32H,13H2,1-2H3,(H2,30,33)/b10-9+/t14-,15+,19-,21-,22?,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))	BDBM247047 ((S and R)-2- ((1R,3aR,6S, 7R,7aS)-7- ((E)-2-(5-(2-...) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(O)C(N)=O |r| Show InChI InChI=1S/C26H25F2N3O4/c1-14-19(10-9-18-8-7-17(12-31-18)20-6-4-3-5-16(20)11-29)21-15(2)35-24(34)25(21,13-26(14,27)28)22(32)23(30)33/h3-10,12,14-15,19,21-22,32H,13H2,1-2H3,(H2,30,33)/b10-9+/t14-,15+,19-,21-,22?,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	4.41	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