BDBM246257 US10183932, Example 163::US9434690, 163::US9822102, Example 163

SMILES: COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N

InChI Key: InChIKey=LVYGLUYPTDVDIW-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 246257   

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))	BDBM246257 (US10183932, Example 163 | US9434690, 163 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(24(33)28-16-5-6-19-20(10-16)30-25(34)29-19)31-13-22(36-2)18(11-23(31)32)17-9-15(26)4-3-14(17)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US9434690 (2016) BindingDB Entry DOI: 10.7270/Q2K936FF
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM246257 (US10183932, Example 163 | US9434690, 163 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(24(33)28-16-5-6-19-20(10-16)30-25(34)29-19)31-13-22(36-2)18(11-23(31)32)17-9-15(26)4-3-14(17)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	7.4	25
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US9434690 (2016) BindingDB Entry DOI: 10.7270/Q2K936FF
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM246257 (US10183932, Example 163 | US9434690, 163 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(24(33)28-16-5-6-19-20(10-16)30-25(34)29-19)31-13-22(36-2)18(11-23(31)32)17-9-15(26)4-3-14(17)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US9822102 (2017) BindingDB Entry DOI: 10.7270/Q2FN18G5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246257 (US10183932, Example 163 | US9434690, 163 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(24(33)28-16-5-6-19-20(10-16)30-25(34)29-19)31-13-22(36-2)18(11-23(31)32)17-9-15(26)4-3-14(17)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...				US Patent US10183932 (2019) BindingDB Entry DOI: 10.7270/Q23T9K99
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246257 (US10183932, Example 163 | US9434690, 163 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(24(33)28-16-5-6-19-20(10-16)30-25(34)29-19)31-13-22(36-2)18(11-23(31)32)17-9-15(26)4-3-14(17)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US9822102 (2017) BindingDB Entry DOI: 10.7270/Q2FN18G5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246257 (US10183932, Example 163 | US9434690, 163 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(24(33)28-16-5-6-19-20(10-16)30-25(34)29-19)31-13-22(36-2)18(11-23(31)32)17-9-15(26)4-3-14(17)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...				US Patent US10183932 (2019) BindingDB Entry DOI: 10.7270/Q23T9K99
					More data for this Ligand-Target Pair