Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase MARK2' and Ligand = 'BDBM247039'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase MARK2 (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
Serine/threonine-protein kinase MARK2 (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
Serine/threonine-protein kinase MARK2 (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