BDBM357059 US10214512, Example 39

SMILES: COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cc(nn2)C(F)(F)F)c1

InChI Key: InChIKey=KAKBBSOLSJWTRB-SANMLTNESA-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 = 357059   

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))	BDBM357059 (US10214512, Example 39) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cc(nn2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C34H28ClF3N6O4/c1-48-33(46)39-24-11-12-25-20-5-4-6-21(15-20)26(7-2-3-8-32(45)40-28(25)17-24)30-13-9-22(18-44(30)47)27-16-23(35)10-14-29(27)43-19-31(41-42-43)34(36,37)38/h4-6,9-19,26H,2-3,7-8H2,1H3,(H,39,46)(H,40,45)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	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))	BDBM357059 (US10214512, Example 39) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cc(nn2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C34H28ClF3N6O4/c1-48-33(46)39-24-11-12-25-20-5-4-6-21(15-20)26(7-2-3-8-32(45)40-28(25)17-24)30-13-9-22(18-44(30)47)27-16-23(35)10-14-29(27)43-19-31(41-42-43)34(36,37)38/h4-6,9-19,26H,2-3,7-8H2,1H3,(H,39,46)(H,40,45)/t26-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	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