BDBM241552 US9409908, 184::US9951071, Example 184

SMILES: C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O

InChI Key: InChIKey=BBDIEHHRWQGMIS-NSYGIPOTSA-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 = 241552   

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))	BDBM241552 (US9409908, 184 | US9951071, Example 184) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H26ClF2N7O2/c1-17-3-2-4-25(24-13-18(9-11-34-24)21-15-20(32)5-7-23(21)36-30(17)42)39-12-10-19(14-27(39)41)28-26(40-16-35-37-38-40)8-6-22(31)29(28)33/h5-9,11,13-17,25H,2-4,10,12H2,1H3,(H,36,42)/t17-,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))	BDBM241552 (US9409908, 184 | US9951071, Example 184) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H26ClF2N7O2/c1-17-3-2-4-25(24-13-18(9-11-34-24)21-15-20(32)5-7-23(21)36-30(17)42)39-12-10-19(14-27(39)41)28-26(40-16-35-37-38-40)8-6-22(31)29(28)33/h5-9,11,13-17,25H,2-4,10,12H2,1H3,(H,36,42)/t17-,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))	BDBM241552 (US9409908, 184 | US9951071, Example 184) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H26ClF2N7O2/c1-17-3-2-4-25(24-13-18(9-11-34-24)21-15-20(32)5-7-23(21)36-30(17)42)39-12-10-19(14-27(39)41)28-26(40-16-35-37-38-40)8-6-22(31)29(28)33/h5-9,11,13-17,25H,2-4,10,12H2,1H3,(H,36,42)/t17-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.51	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))	BDBM241552 (US9409908, 184 | US9951071, Example 184) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H26ClF2N7O2/c1-17-3-2-4-25(24-13-18(9-11-34-24)21-15-20(32)5-7-23(21)36-30(17)42)39-12-10-19(14-27(39)41)28-26(40-16-35-37-38-40)8-6-22(31)29(28)33/h5-9,11,13-17,25H,2-4,10,12H2,1H3,(H,36,42)/t17-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.51	-12.2	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