BDBM189419 US9174974, Example 4

SMILES: CCN(Cc1nccs1)C(=O)c1ccc2NC(=O)OCC(F)(F)c3c(C)cc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2

InChI Key: InChIKey=ZKVVIIJQZLCWIN-JGCGQSQUSA-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 = 189419   

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))	BDBM189419 (US9174974, Example 4) Show SMILES CCN(Cc1nccs1)C(=O)c1ccc2NC(=O)OCC(F)(F)c3c(C)cc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r| Show InChI InChI=1S/C37H37F2N7O4S/c1-5-46(19-30-41-12-13-51-30)34(47)29-9-7-27-17-25(29)18-45(4)35(48)32(43-26-6-8-28-23(16-26)10-11-42-33(28)40)24-14-21(2)31(22(3)15-24)37(38,39)20-50-36(49)44-27/h6-17,32,43H,5,18-20H2,1-4H3,(H2,40,42)(H,44,49)/t32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	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))	BDBM189419 (US9174974, Example 4) Show SMILES CCN(Cc1nccs1)C(=O)c1ccc2NC(=O)OCC(F)(F)c3c(C)cc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r| Show InChI InChI=1S/C37H37F2N7O4S/c1-5-46(19-30-41-12-13-51-30)34(47)29-9-7-27-17-25(29)18-45(4)35(48)32(43-26-6-8-28-23(16-26)10-11-42-33(28)40)24-14-21(2)31(22(3)15-24)37(38,39)20-50-36(49)44-27/h6-17,32,43H,5,18-20H2,1-4H3,(H2,40,42)(H,44,49)/t32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	300	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