null

SMILES: C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(o1)C1CC1

InChI Key: InChIKey=YKXCIIQTESRYRG-WHICKTMFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 398061   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM398061 (2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 7a-(5-cyclopropy...) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(o1)C1CC1 |r| Show InChI InChI=1S/C30H28F2N4O3/c1-16-5-4-6-23(24(16)13-33)20-9-10-21(34-14-20)11-12-22-17(2)30(31,32)15-29(25(22)18(3)38-28(29)37)27-36-35-26(39-27)19-7-8-19/h4-6,9-12,14,17-19,22,25H,7-8,15H2,1-3H3/b12-11+/t17-,18+,22-,25-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description Compound dilutions and assay-ready plates were prepared on a TTP Labtech mosquito HTS. Assay conduction was fully automated on a customized Screening...				Bioorg Med Chem Lett 19: 4280-3 (2009) BindingDB Entry DOI: 10.7270/Q2G44SMF
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM398061 (2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 7a-(5-cyclopropy...) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(o1)C1CC1 |r| Show InChI InChI=1S/C30H28F2N4O3/c1-16-5-4-6-23(24(16)13-33)20-9-10-21(34-14-20)11-12-22-17(2)30(31,32)15-29(25(22)18(3)38-28(29)37)27-36-35-26(39-27)19-7-8-19/h4-6,9-12,14,17-19,22,25H,7-8,15H2,1-3H3/b12-11+/t17-,18+,22-,25-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.07	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a...				Bioorg Med Chem Lett 19: 4280-3 (2009) BindingDB Entry DOI: 10.7270/Q2G44SMF
					More data for this Ligand-Target Pair