BDBM247039 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)propanamide::US9701669, 7::US9701669, 8::US9701669, 9

SMILES: CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O

InChI Key: InChIKey=FXKUUXSFWISISL-NMVZSTGUSA-N

Data: 6 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 6 hits for monomerid = 247039   

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
MAP/microtubule affinity-regulating kinase 2 (Homo sapiens (Human))	BDBM247039 (2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...) Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,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	4.43	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
MAP/microtubule affinity-regulating kinase 2 (Homo sapiens (Human))	BDBM247039 (2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...) Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,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	4.07	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM247039 (2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...) Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,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	5.97E+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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM247039 (2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...) Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,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	3.91E+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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM247039 (2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...) Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,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	2.63E+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))	BDBM247039 (2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...) Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,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	11.3	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