BDBM246211 US10183932, Example 116::US9434690, 116::US9822102, Example 116

SMILES: COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N

InChI Key: InChIKey=DCFGHORVDDAJPY-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 = 246211   

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))	BDBM246211 (US10183932, Example 116 | US9434690, 116 | US98221...) Show SMILES COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-27(9-10-27)13-22(25(33)30-19-7-4-16(5-8-19)26(34)35)31-15-23(36-2)21(12-24(31)32)20-11-18(28)6-3-17(20)14-29/h3-8,11-12,15,22H,9-10,13H2,1-2H3,(H,30,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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))	BDBM246211 (US10183932, Example 116 | US9434690, 116 | US98221...) Show SMILES COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-27(9-10-27)13-22(25(33)30-19-7-4-16(5-8-19)26(34)35)31-15-23(36-2)21(12-24(31)32)20-11-18(28)6-3-17(20)14-29/h3-8,11-12,15,22H,9-10,13H2,1-2H3,(H,30,33)(H,34,35)	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))	BDBM246211 (US10183932, Example 116 | US9434690, 116 | US98221...) Show SMILES COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-27(9-10-27)13-22(25(33)30-19-7-4-16(5-8-19)26(34)35)31-15-23(36-2)21(12-24(31)32)20-11-18(28)6-3-17(20)14-29/h3-8,11-12,15,22H,9-10,13H2,1-2H3,(H,30,33)(H,34,35)	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))	BDBM246211 (US10183932, Example 116 | US9434690, 116 | US98221...) Show SMILES COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-27(9-10-27)13-22(25(33)30-19-7-4-16(5-8-19)26(34)35)31-15-23(36-2)21(12-24(31)32)20-11-18(28)6-3-17(20)14-29/h3-8,11-12,15,22H,9-10,13H2,1-2H3,(H,30,33)(H,34,35)	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))	BDBM246211 (US10183932, Example 116 | US9434690, 116 | US98221...) Show SMILES COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-27(9-10-27)13-22(25(33)30-19-7-4-16(5-8-19)26(34)35)31-15-23(36-2)21(12-24(31)32)20-11-18(28)6-3-17(20)14-29/h3-8,11-12,15,22H,9-10,13H2,1-2H3,(H,30,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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))	BDBM246211 (US10183932, Example 116 | US9434690, 116 | US98221...) Show SMILES COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-27(9-10-27)13-22(25(33)30-19-7-4-16(5-8-19)26(34)35)31-15-23(36-2)21(12-24(31)32)20-11-18(28)6-3-17(20)14-29/h3-8,11-12,15,22H,9-10,13H2,1-2H3,(H,30,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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