BDBM189433 US9174974, Example 18

SMILES: C[C@H]1COC(=O)Nc2cc(F)c(OCC3(CC3)[N+]#[C-])c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2

InChI Key: InChIKey=XORTWWXYTDLOGB-URAOTHONSA-N

Data: 2 KI

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 = 189433   

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
Coagulation factor VII (Homo sapiens (Human))	BDBM189433 (US9174974, Example 18) Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OCC3(CC3)[N+]#[C-])c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C35H35FN6O4/c1-20-13-23-5-7-27(20)21(2)18-45-34(44)41-26-15-24(31(29(36)16-26)46-19-35(38-3)10-11-35)17-42(4)33(43)30(23)40-25-6-8-28-22(14-25)9-12-39-32(28)37/h5-9,12-16,21,30,40H,10-11,17-19H2,1-2,4H3,(H2,37,39)(H,41,44)/t21-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FVIIa-Xase Ki (37° C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...				US Patent US9174974 (2015) BindingDB Entry DOI: 10.7270/Q2W37V32
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM189433 (US9174974, Example 18) Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OCC3(CC3)[N+]#[C-])c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C35H35FN6O4/c1-20-13-23-5-7-27(20)21(2)18-45-34(44)41-26-15-24(31(29(36)16-26)46-19-35(38-3)10-11-35)17-42(4)33(43)30(23)40-25-6-8-28-22(14-25)9-12-39-32(28)37/h5-9,12-16,21,30,40H,10-11,17-19H2,1-2,4H3,(H2,37,39)(H,41,44)/t21-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	490	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Tissue kallikrein-1 (37° C) activity was determined in reactions containing 0.05 nM enzyme and 90 μM substrate (H-D-Val-Leu-Arg-AFC) in buffer (...				US Patent US9174974 (2015) BindingDB Entry DOI: 10.7270/Q2W37V32
					More data for this Ligand-Target Pair