BDBM303803 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}pyridine-2-carboxamide (Stereoisomer Mixture)::US10138236, Example 21

SMILES: COCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O

InChI Key: InChIKey=MGDLVIVVZPLDNQ-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 = 303803   

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))	BDBM303803 (5-{[2-(11′-Chloro-2′,5′-dioxo-2&...) Show SMILES COCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C27H26ClN5O5/c1-38-9-6-22(26(37)31-17-4-5-21(24(29)35)30-13-17)33-14-20-19(11-23(33)34)18-10-16(28)3-2-15(18)12-27(7-8-27)32-25(20)36/h2-5,10-11,13-14,22H,6-9,12H2,1H3,(H2,29,35)(H,31,37)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	910	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))	BDBM303803 (5-{[2-(11′-Chloro-2′,5′-dioxo-2&...) Show SMILES COCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C27H26ClN5O5/c1-38-9-6-22(26(37)31-17-4-5-21(24(29)35)30-13-17)33-14-20-19(11-23(33)34)18-10-16(28)3-2-15(18)12-27(7-8-27)32-25(20)36/h2-5,10-11,13-14,22H,6-9,12H2,1H3,(H2,29,35)(H,31,37)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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