BDBM189418 US9174974, Example 3

SMILES: CCS(=O)(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C(=O)N(C)Cc1c2

InChI Key: InChIKey=UAPVAHDYNSQTDL-ADXZGYQBSA-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 = 189418   

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))	BDBM189418 (US9174974, Example 3) Show SMILES CCS(=O)(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C(=O)N(C)Cc1c2 |r| Show InChI InChI=1S/C32H34FN5O5S/c1-5-44(41,42)28-11-8-22-13-21(28)16-38(4)31(39)29(36-23-7-10-25-26(14-23)27(33)15-35-30(25)34)20-6-9-24(18(2)12-20)19(3)17-43-32(40)37-22/h6-15,19,29,36H,5,16-17H2,1-4H3,(H2,34,35)(H,37,40)/t19-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	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))	BDBM189418 (US9174974, Example 3) Show SMILES CCS(=O)(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C(=O)N(C)Cc1c2 |r| Show InChI InChI=1S/C32H34FN5O5S/c1-5-44(41,42)28-11-8-22-13-21(28)16-38(4)31(39)29(36-23-7-10-25-26(14-23)27(33)15-35-30(25)34)20-6-9-24(18(2)12-20)19(3)17-43-32(40)37-22/h6-15,19,29,36H,5,16-17H2,1-4H3,(H2,34,35)(H,37,40)/t19-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	270	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