BDBM357105 US10214512, Example 79-a::US10214512, Example 79-b::US10214512, Example 79-c::US10214512, Example 79-d

SMILES: [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=QGRNPIFRFQQVJW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 357105   

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))	BDBM357105 (US10214512, Example 79-a | US10214512, Example 79-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C35H33ClFN7O2/c36-26-11-15-33(43-22-38-40-41-43)30(19-26)25-10-14-34(44(46)21-25)28-8-1-2-9-32(35(45)42-16-3-4-17-42)39-31-13-12-27(37)20-29(31)24-7-5-6-23(28)18-24/h5-7,10-15,18-22,28,32,39H,1-4,8-9,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM357105 (US10214512, Example 79-a | US10214512, Example 79-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C35H33ClFN7O2/c36-26-11-15-33(43-22-38-40-41-43)30(19-26)25-10-14-34(44(46)21-25)28-8-1-2-9-32(35(45)42-16-3-4-17-42)39-31-13-12-27(37)20-29(31)24-7-5-6-23(28)18-24/h5-7,10-15,18-22,28,32,39H,1-4,8-9,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM357105 (US10214512, Example 79-a | US10214512, Example 79-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C35H33ClFN7O2/c36-26-11-15-33(43-22-38-40-41-43)30(19-26)25-10-14-34(44(46)21-25)28-8-1-2-9-32(35(45)42-16-3-4-17-42)39-31-13-12-27(37)20-29(31)24-7-5-6-23(28)18-24/h5-7,10-15,18-22,28,32,39H,1-4,8-9,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	47.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM357105 (US10214512, Example 79-a | US10214512, Example 79-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C35H33ClFN7O2/c36-26-11-15-33(43-22-38-40-41-43)30(19-26)25-10-14-34(44(46)21-25)28-8-1-2-9-32(35(45)42-16-3-4-17-42)39-31-13-12-27(37)20-29(31)24-7-5-6-23(28)18-24/h5-7,10-15,18-22,28,32,39H,1-4,8-9,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	52.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Kallikrein 1 (Homo sapiens (Human))	BDBM357105 (US10214512, Example 79-a | US10214512, Example 79-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C35H33ClFN7O2/c36-26-11-15-33(43-22-38-40-41-43)30(19-26)25-10-14-34(44(46)21-25)28-8-1-2-9-32(35(45)42-16-3-4-17-42)39-31-13-12-27(37)20-29(31)24-7-5-6-23(28)18-24/h5-7,10-15,18-22,28,32,39H,1-4,8-9,16-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Kallikrein 1 (Homo sapiens (Human))	BDBM357105 (US10214512, Example 79-a | US10214512, Example 79-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C35H33ClFN7O2/c36-26-11-15-33(43-22-38-40-41-43)30(19-26)25-10-14-34(44(46)21-25)28-8-1-2-9-32(35(45)42-16-3-4-17-42)39-31-13-12-27(37)20-29(31)24-7-5-6-23(28)18-24/h5-7,10-15,18-22,28,32,39H,1-4,8-9,16-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Kallikrein 1 (Homo sapiens (Human))	BDBM357105 (US10214512, Example 79-a | US10214512, Example 79-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(Nc2ccc(F)cc2-c2cccc1c2)C(=O)N1CCCC1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C35H33ClFN7O2/c36-26-11-15-33(43-22-38-40-41-43)30(19-26)25-10-14-34(44(46)21-25)28-8-1-2-9-32(35(45)42-16-3-4-17-42)39-31-13-12-27(37)20-29(31)24-7-5-6-23(28)18-24/h5-7,10-15,18-22,28,32,39H,1-4,8-9,16-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair