BDBM303805 5-{[2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-4-methoxybutanoyl]amino}thiophene-3-carboxylic acid (Stereoisomer Mixture)::US10138236, Example 23

SMILES: COCCC(C(=O)Nc1cc(cs1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O

InChI Key: InChIKey=LVYYWTCICJFTHG-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 = 303805   

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))	BDBM303805 (5-{[2-(11′-Chloro-2′,5′-dioxo-2&...) Show SMILES COCCC(C(=O)Nc1cc(cs1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C26H24ClN3O6S/c1-36-7-4-20(24(33)28-21-8-15(13-37-21)25(34)35)30-12-19-18(10-22(30)31)17-9-16(27)3-2-14(17)11-26(5-6-26)29-23(19)32/h2-3,8-10,12-13,20H,4-7,11H2,1H3,(H,28,33)(H,29,32)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90E+3	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))	BDBM303805 (5-{[2-(11′-Chloro-2′,5′-dioxo-2&...) Show SMILES COCCC(C(=O)Nc1cc(cs1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C26H24ClN3O6S/c1-36-7-4-20(24(33)28-21-8-15(13-37-21)25(34)35)30-12-19-18(10-22(30)31)17-9-16(27)3-2-14(17)11-26(5-6-26)29-23(19)32/h2-3,8-10,12-13,20H,4-7,11H2,1H3,(H,28,33)(H,29,32)(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	100	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