BDBM241539 US9409908, 171::US9951071, Example 171

SMILES: COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cccc-2c3)c1

InChI Key: InChIKey=XTUFVXUJJQAYGD-XBBWARJSSA-N

Data: 4 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 4 hits for monomerid = 241539   

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))	BDBM241539 (US9409908, 171 | US9951071, Example 171) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cccc-2c3)c1 |r,c:22| Show InChI InChI=1S/C34H33ClFN3O5/c1-19-6-4-9-29(39-15-14-23(17-30(39)41)31-25(20(2)40)12-13-27(35)32(31)36)22-8-5-7-21(16-22)26-11-10-24(37-34(43)44-3)18-28(26)38-33(19)42/h5,7-8,10-13,16-19,29H,4,6,9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t19-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241539 (US9409908, 171 | US9951071, Example 171) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cccc-2c3)c1 |r,c:22| Show InChI InChI=1S/C34H33ClFN3O5/c1-19-6-4-9-29(39-15-14-23(17-30(39)41)31-25(20(2)40)12-13-27(35)32(31)36)22-8-5-7-21(16-22)26-11-10-24(37-34(43)44-3)18-28(26)38-33(19)42/h5,7-8,10-13,16-19,29H,4,6,9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t19-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241539 (US9409908, 171 | US9951071, Example 171) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cccc-2c3)c1 |r,c:22| Show InChI InChI=1S/C34H33ClFN3O5/c1-19-6-4-9-29(39-15-14-23(17-30(39)41)31-25(20(2)40)12-13-27(35)32(31)36)22-8-5-7-21(16-22)26-11-10-24(37-34(43)44-3)18-28(26)38-33(19)42/h5,7-8,10-13,16-19,29H,4,6,9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t19-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241539 (US9409908, 171 | US9951071, Example 171) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C(C)=O)c3cccc-2c3)c1 |r,c:22| Show InChI InChI=1S/C34H33ClFN3O5/c1-19-6-4-9-29(39-15-14-23(17-30(39)41)31-25(20(2)40)12-13-27(35)32(31)36)22-8-5-7-21(16-22)26-11-10-24(37-34(43)44-3)18-28(26)38-33(19)42/h5,7-8,10-13,16-19,29H,4,6,9,14-15H2,1-3H3,(H,37,43)(H,38,42)/t19-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.87	-11.4	n/a	n/a	n/a	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair