BDBM455196 US10730874, Compound I-213

SMILES: CC(F)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1

InChI Key: InChIKey=CEHRHYFXIRSYSG-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 455196   

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))	BDBM455196 (US10730874, Compound I-213) Show SMILES CC(F)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1 Show InChI InChI=1S/C24H21ClF2N8O/c1-13(26)17-6-15(14-2-3-14)8-34-9-16(30-23(17)34)10-35-11-20(31-32-35)24(36)28-7-19-22-21(27)18(25)4-5-33(22)12-29-19/h4-6,8-9,11-14H,2-3,7,10H2,1H3,(H,28,36)	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)
					More data for this Ligand-Target Pair