BDBM246164 US10183932, Example 69::US9434690, 69::US9822102, Example 69

SMILES: CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N

InChI Key: InChIKey=UBQSSKXXBQWBRF-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 = 246164   

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))	BDBM246164 (US10183932, Example 69 | US9434690, 69 | US9822102...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClN5O4/c1-3-22(26(35)29-18-8-5-15(6-9-18)21-12-24(33)31-30-21)32-14-23(36-2)20(11-25(32)34)19-10-17(27)7-4-16(19)13-28/h4-12,14,22H,3H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM246164 (US10183932, Example 69 | US9434690, 69 | US9822102...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClN5O4/c1-3-22(26(35)29-18-8-5-15(6-9-18)21-12-24(33)31-30-21)32-14-23(36-2)20(11-25(32)34)19-10-17(27)7-4-16(19)13-28/h4-12,14,22H,3H2,1-2H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM246164 (US10183932, Example 69 | US9434690, 69 | US9822102...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClN5O4/c1-3-22(26(35)29-18-8-5-15(6-9-18)21-12-24(33)31-30-21)32-14-23(36-2)20(11-25(32)34)19-10-17(27)7-4-16(19)13-28/h4-12,14,22H,3H2,1-2H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM246164 (US10183932, Example 69 | US9434690, 69 | US9822102...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClN5O4/c1-3-22(26(35)29-18-8-5-15(6-9-18)21-12-24(33)31-30-21)32-14-23(36-2)20(11-25(32)34)19-10-17(27)7-4-16(19)13-28/h4-12,14,22H,3H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM246164 (US10183932, Example 69 | US9434690, 69 | US9822102...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClN5O4/c1-3-22(26(35)29-18-8-5-15(6-9-18)21-12-24(33)31-30-21)32-14-23(36-2)20(11-25(32)34)19-10-17(27)7-4-16(19)13-28/h4-12,14,22H,3H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM246164 (US10183932, Example 69 | US9434690, 69 | US9822102...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClN5O4/c1-3-22(26(35)29-18-8-5-15(6-9-18)21-12-24(33)31-30-21)32-14-23(36-2)20(11-25(32)34)19-10-17(27)7-4-16(19)13-28/h4-12,14,22H,3H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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