BDBM50092335 CHEMBL3084794::Carbonic acid 4-{2-[(4-aminomethyl-cyclohexanecarbonyl)-amino]-2-[3-(3,5-dimethyl-6-oxo-1,6-dihydro-pyrazin-2-yl)-propylcarbamoyl]-ethyl}-phenyl ester 2-bromo-benzyl ester

SMILES: Cc1nc(C)c(CCCNC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)nc1O

InChI Key: InChIKey=RFLYHWNKLJYUFZ-BIBMFLLGSA-N

Data: 1 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 1 hit for monomerid = 50092335   

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
Plasminogen (Homo sapiens (Human))	BDBM50092335 (CHEMBL3084794 | Carbonic acid 4-{2-[(4-aminomethyl...) Show SMILES Cc1nc(C)c(CCCNC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)nc1O |wU:35.36,wD:38.40,(3.86,-9.45,;3.86,-7.91,;5.19,-7.14,;5.19,-5.6,;6.53,-4.83,;3.86,-4.83,;3.86,-3.29,;2.53,-2.52,;1.19,-3.29,;-.14,-2.52,;-1.47,-3.29,;-1.47,-4.83,;-2.81,-2.52,;-2.81,-.98,;-1.47,-.21,;-.14,-.98,;1.19,-.21,;1.19,1.33,;2.53,2.1,;3.86,1.33,;3.86,-.21,;5.19,2.1,;6.53,1.33,;7.86,2.1,;7.86,3.64,;9.2,4.41,;10.53,3.64,;10.53,2.1,;9.2,1.33,;9.2,-.21,;-.14,2.1,;-1.47,1.33,;-4.14,-3.29,;-4.14,-4.83,;-2.81,-5.6,;-5.48,-5.6,;-5.48,-7.14,;-6.81,-7.91,;-8.14,-7.14,;-9.48,-7.91,;-10.81,-7.14,;-8.14,-5.6,;-6.81,-4.83,;2.53,-5.6,;2.53,-7.14,;1.19,-7.91,)| Show InChI InChI=1S/C34H42BrN5O6/c1-21-29(39-31(41)22(2)38-21)8-5-17-37-33(43)30(40-32(42)25-13-9-24(19-36)10-14-25)18-23-11-15-27(16-12-23)46-34(44)45-20-26-6-3-4-7-28(26)35/h3-4,6-7,11-12,15-16,24-25,30H,5,8-10,13-14,17-20,36H2,1-2H3,(H,37,43)(H,39,41)(H,40,42)/t24-,25-,30?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Inhibitory activity of compound was evaluated against plasmin; not detectable				Bioorg Med Chem Lett 10: 2217-21 (2001) BindingDB Entry DOI: 10.7270/Q2125RXQ
					More data for this Ligand-Target Pair