BDBM241460 US9409908, 92::US9951071, Example 92

SMILES: C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F

InChI Key: InChIKey=ONIHHUWDVFUCAR-GDJIYFAZSA-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 = 241460   

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))	BDBM241460 (US9409908, 92 | US9951071, Example 92) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	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))	BDBM241460 (US9409908, 92 | US9951071, Example 92) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	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))	BDBM241460 (US9409908, 92 | US9951071, Example 92) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	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))	BDBM241460 (US9409908, 92 | US9951071, Example 92) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-12.1	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