BDBM241409 US9409908, 41::US9951071, Example 41

SMILES: COCc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1

InChI Key: InChIKey=YCPIFMNZNHRZMY-CLYVBNDRSA-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 = 241409   

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))	BDBM241409 (US9409908, 41 | US9951071, Example 41) Show SMILES COCc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:25| Show InChI InChI=1S/C33H31ClF2N6O4/c1-18-4-3-5-27(42-13-11-20(15-29(42)43)30-24(35)9-8-23(34)31(30)36)26-14-19(10-12-37-26)22-7-6-21(16-25(22)39-32(18)44)38-33-41-40-28(46-33)17-45-2/h6-10,12,14-16,18,27H,3-5,11,13,17H2,1-2H3,(H,38,41)(H,39,44)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	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))	BDBM241409 (US9409908, 41 | US9951071, Example 41) Show SMILES COCc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:25| Show InChI InChI=1S/C33H31ClF2N6O4/c1-18-4-3-5-27(42-13-11-20(15-29(42)43)30-24(35)9-8-23(34)31(30)36)26-14-19(10-12-37-26)22-7-6-21(16-25(22)39-32(18)44)38-33-41-40-28(46-33)17-45-2/h6-10,12,14-16,18,27H,3-5,11,13,17H2,1-2H3,(H,38,41)(H,39,44)/t18-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	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))	BDBM241409 (US9409908, 41 | US9951071, Example 41) Show SMILES COCc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:25| Show InChI InChI=1S/C33H31ClF2N6O4/c1-18-4-3-5-27(42-13-11-20(15-29(42)43)30-24(35)9-8-23(34)31(30)36)26-14-19(10-12-37-26)22-7-6-21(16-25(22)39-32(18)44)38-33-41-40-28(46-33)17-45-2/h6-10,12,14-16,18,27H,3-5,11,13,17H2,1-2H3,(H,38,41)(H,39,44)/t18-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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))	BDBM241409 (US9409908, 41 | US9951071, Example 41) Show SMILES COCc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:25| Show InChI InChI=1S/C33H31ClF2N6O4/c1-18-4-3-5-27(42-13-11-20(15-29(42)43)30-24(35)9-8-23(34)31(30)36)26-14-19(10-12-37-26)22-7-6-21(16-25(22)39-32(18)44)38-33-41-40-28(46-33)17-45-2/h6-10,12,14-16,18,27H,3-5,11,13,17H2,1-2H3,(H,38,41)(H,39,44)/t18-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-11.9	n/a	n/a	n/a	n/a	n/a	n/a	25
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