BDBM189423 US9174974, Example 8

SMILES: CC(C)S(=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=KNGSRJWNXLYQCL-WENCNXQZSA-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 = 189423   

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))	BDBM189423 (US9174974, Example 8) Show SMILES CC(C)S(=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/C33H36FN5O5S/c1-18(2)45(42,43)29-11-8-23-13-22(29)16-39(5)32(40)30(37-24-7-10-26-27(14-24)28(34)15-36-31(26)35)21-6-9-25(19(3)12-21)20(4)17-44-33(41)38-23/h6-15,18,20,30,37H,16-17H2,1-5H3,(H2,35,36)(H,38,41)/t20-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	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))	BDBM189423 (US9174974, Example 8) Show SMILES CC(C)S(=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/C33H36FN5O5S/c1-18(2)45(42,43)29-11-8-23-13-22(29)16-39(5)32(40)30(37-24-7-10-26-27(14-24)28(34)15-36-31(26)35)21-6-9-25(19(3)12-21)20(4)17-44-33(41)38-23/h6-15,18,20,30,37H,16-17H2,1-5H3,(H2,35,36)(H,38,41)/t20-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	700	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