null

SMILES: COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F

InChI Key: InChIKey=NKTZDNHYVJSOOU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 408744   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.2	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods. Human plasma kallikrein (Protogen) was incubated at 2...				US Patent US10364238 (2019) BindingDB Entry DOI: 10.7270/Q2J968QP
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorog...				US Patent US10364238 (2019) BindingDB Entry DOI: 10.7270/Q2J968QP
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q29G5R07
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				Citation and Details BindingDB Entry DOI: 10.7270/Q29G5R07
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00921 BindingDB Entry DOI: 10.7270/Q2HT2TBQ
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
KALVISTA PHARMACEUTICALS LIMITED US Patent					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				US Patent US11001578 (2021) BindingDB Entry DOI: 10.7270/Q2PK0K89
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluoroge...				Citation and Details BindingDB Entry DOI: 10.7270/Q25B05N6
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods. Human plasma kallikrein (Protogen) was incubated at 2...				Citation and Details BindingDB Entry DOI: 10.7270/Q25B05N6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM408744 ( N-[(2-fluoro-5-methoxyphenyl)methyl]-3-(methoxyme...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1F Show InChI InChI=1S/C27H27FN4O4/c1-35-18-25-23(27(34)29-14-21-13-22(36-2)10-11-24(21)28)17-32(30-25)16-20-8-6-19(7-9-20)15-31-12-4-3-5-26(31)33/h3-13,17H,14-16,18H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.2	n/a	n/a	n/a	n/a	n/a	n/a
KALVISTA PHARMACEUTICALS LIMITED US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US11001578 (2021) BindingDB Entry DOI: 10.7270/Q2PK0K89
					More data for this Ligand-Target Pair