null

SMILES: COC(=O)\C=C\c1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)cc34)nc12)C1CC1

InChI Key: InChIKey=NHPBAHWGIXIPAO-SNAWJCMRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 455076   

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))	BDBM455076 (US10730874, Compound I-100a | US10730874, Compound...) Show SMILES COC(=O)\C=C\c1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)cc34)nc12)C1CC1 Show InChI InChI=1S/C27H24ClN7O3/c1-38-25(36)5-4-18-8-19(17-2-3-17)12-34-14-22(32-26(18)34)15-35-13-20(10-31-35)27(37)29-11-23-24-9-21(28)6-7-33(24)16-30-23/h4-10,12-14,16-17H,2-3,11,15H2,1H3,(H,29,37)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
Shire Human Genetic Therapies, Inc. US Patent					Assay Description Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...				US Patent US10730874 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BXC
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM455076 (US10730874, Compound I-100a | US10730874, Compound...) Show SMILES COC(=O)\C=C\c1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)cc34)nc12)C1CC1 Show InChI InChI=1S/C27H24ClN7O3/c1-38-25(36)5-4-18-8-19(17-2-3-17)12-34-14-22(32-26(18)34)15-35-13-20(10-31-35)27(37)29-11-23-24-9-21(28)6-7-33(24)16-30-23/h4-10,12-14,16-17H,2-3,11,15H2,1H3,(H,29,37)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
Shire Human Genetic Therapies, Inc. US Patent					Assay Description Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...				US Patent US10730874 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BXC
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM455076 (US10730874, Compound I-100a | US10730874, Compound...) Show SMILES COC(=O)\C=C\c1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)cc34)nc12)C1CC1 Show InChI InChI=1S/C27H24ClN7O3/c1-38-25(36)5-4-18-8-19(17-2-3-17)12-34-14-22(32-26(18)34)15-35-13-20(10-31-35)27(37)29-11-23-24-9-21(28)6-7-33(24)16-30-23/h4-10,12-14,16-17H,2-3,11,15H2,1H3,(H,29,37)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
Shire Human Genetic Therapies, Inc. US Patent					Assay Description Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...				US Patent US10730874 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BXC
					More data for this Ligand-Target Pair