BDBM241436 US9409908, 68::US9951071, Example 68

SMILES: C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O

InChI Key: InChIKey=JSZAYFVPBHXVCY-CJAUYULYSA-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 = 241436   

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))	BDBM241436 (US9409908, 68 | US9951071, Example 68) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H27ClFN7O2/c1-18-5-4-8-25(24-15-19(11-13-33-24)21-6-2-3-7-23(21)35-30(18)41)38-14-12-20(16-27(38)40)28-26(39-17-34-36-37-39)10-9-22(31)29(28)32/h2-3,6-7,9-11,13,15-18,25H,4-5,8,12,14H2,1H3,(H,35,41)/t18-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	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))	BDBM241436 (US9409908, 68 | US9951071, Example 68) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H27ClFN7O2/c1-18-5-4-8-25(24-15-19(11-13-33-24)21-6-2-3-7-23(21)35-30(18)41)38-14-12-20(16-27(38)40)28-26(39-17-34-36-37-39)10-9-22(31)29(28)32/h2-3,6-7,9-11,13,15-18,25H,4-5,8,12,14H2,1H3,(H,35,41)/t18-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	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))	BDBM241436 (US9409908, 68 | US9951071, Example 68) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H27ClFN7O2/c1-18-5-4-8-25(24-15-19(11-13-33-24)21-6-2-3-7-23(21)35-30(18)41)38-14-12-20(16-27(38)40)28-26(39-17-34-36-37-39)10-9-22(31)29(28)32/h2-3,6-7,9-11,13,15-18,25H,4-5,8,12,14H2,1H3,(H,35,41)/t18-,25+/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))	BDBM241436 (US9409908, 68 | US9951071, Example 68) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H27ClFN7O2/c1-18-5-4-8-25(24-15-19(11-13-33-24)21-6-2-3-7-23(21)35-30(18)41)38-14-12-20(16-27(38)40)28-26(39-17-34-36-37-39)10-9-22(31)29(28)32/h2-3,6-7,9-11,13,15-18,25H,4-5,8,12,14H2,1H3,(H,35,41)/t18-,25+/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