BDBM357053 US10214512, Example 33

SMILES: COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)F)c1

InChI Key: InChIKey=VNMIPKFXVDCVBL-VWLOTQADSA-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 = 357053   

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 XI (Homo sapiens (Human))	BDBM357053 (US10214512, Example 33) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)F)c1 |r| Show InChI InChI=1S/C32H28ClF2N3O5/c1-42-32(40)36-23-11-12-24-19-5-4-6-20(15-19)25(7-2-3-8-30(39)37-27(24)17-23)28-13-9-21(18-38(28)41)26-16-22(33)10-14-29(26)43-31(34)35/h4-6,9-18,25,31H,2-3,7-8H2,1H3,(H,36,40)(H,37,39)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM357053 (US10214512, Example 33) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2OC(F)F)c1 |r| Show InChI InChI=1S/C32H28ClF2N3O5/c1-42-32(40)36-23-11-12-24-19-5-4-6-20(15-19)25(7-2-3-8-30(39)37-27(24)17-23)28-13-9-21(18-38(28)41)26-16-22(33)10-14-29(26)43-31(34)35/h4-6,9-18,25,31H,2-3,7-8H2,1H3,(H,36,40)(H,37,39)/t25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair