BDBM303813 2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,4-e][3]benzazocin-3(2H)-yl]-4-methoxy-N-(2-methyl-2H-indazol-5-yl)butanamide (Stereoisomer Mixture)::US10138236, Example 31

SMILES: COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O

InChI Key: InChIKey=WTECJQOPSGZRRS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 303813   

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))	BDBM303813 (2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,8-te...) Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C28H27ClFN5O4/c1-34-14-17-10-19(5-6-24(17)33-34)31-28(38)25(7-8-39-2)35-15-23-22(12-26(35)36)21-11-18(29)4-3-16(21)9-20(13-30)32-27(23)37/h3-6,10-12,14-15,20,25H,7-9,13H2,1-2H3,(H,31,38)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description o determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the react...				US Patent US10138236 (2018) BindingDB Entry DOI: 10.7270/Q2445PH4
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM303813 (2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,8-te...) Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C28H27ClFN5O4/c1-34-14-17-10-19(5-6-24(17)33-34)31-28(38)25(7-8-39-2)35-15-23-22(12-26(35)36)21-11-18(29)4-3-16(21)9-20(13-30)32-27(23)37/h3-6,10-12,14-15,20,25H,7-9,13H2,1-2H3,(H,31,38)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...				US Patent US10138236 (2018) BindingDB Entry DOI: 10.7270/Q2445PH4
					More data for this Ligand-Target Pair