BDBM247043 1-((1R,3aS,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(5-(3- fluorophenyl) pyridin-2- yl)vinyl)-1,6- dimethyl-3- oxo-octahydro- isobenzofuran- 3a-yl)azetidine- 3-carboxamide::US9701669, 13

SMILES: C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)N1CC(C1)C(N)=O

InChI Key: InChIKey=WABUHAZRFLHFMQ-KMKRIQIBSA-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 = 247043   

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))	BDBM247043 (1-((1R,3aS,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(5-...) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)N1CC(C1)C(N)=O |r| Show InChI InChI=1S/C27H28F3N3O3/c1-15-22(9-8-21-7-6-18(11-32-21)17-4-3-5-20(28)10-17)23-16(2)36-25(35)26(23,14-27(15,29)30)33-12-19(13-33)24(31)34/h3-11,15-16,19,22-23H,12-14H2,1-2H3,(H2,31,34)/b9-8+/t15-,16+,22-,23-,26-/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	3.00E+3	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))	BDBM247043 (1-((1R,3aS,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(5-...) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)N1CC(C1)C(N)=O |r| Show InChI InChI=1S/C27H28F3N3O3/c1-15-22(9-8-21-7-6-18(11-32-21)17-4-3-5-20(28)10-17)23-16(2)36-25(35)26(23,14-27(15,29)30)33-12-19(13-33)24(31)34/h3-11,15-16,19,22-23H,12-14H2,1-2H3,(H2,31,34)/b9-8+/t15-,16+,22-,23-,26-/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	13.9	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