BDBM50292274 CHEMBL266672::Cyclohexanone derivative

SMILES: COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@@H](N)C(C)C

InChI Key: InChIKey=XSMKGFSEXYNIGS-MHCIVGOBSA-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 = 50292274   

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))	BDBM50292274 (CHEMBL266672 | Cyclohexanone derivative) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@@H](N)C(C)C Show InChI InChI=1S/C64H74N12O13/c1-33(2)50(68)59(82)54(63(86)88-3)75-61(84)51(56(79)42(65)26-36-29-69-45-20-10-7-17-39(36)45)73-49(77)25-24-35-16-13-23-48(55(35)78)72-60(83)52(57(80)43(66)27-37-30-70-46-21-11-8-18-40(37)46)74-62(85)53(76-64(87)89-32-34-14-5-4-6-15-34)58(81)44(67)28-38-31-71-47-22-12-9-19-41(38)47/h4-12,14-15,17-22,29-31,33,35,42-44,48,50-54,69-71H,13,16,23-28,32,65-68H2,1-3H3,(H,72,83)(H,73,77)(H,74,85)(H,75,84)(H,76,87)/t35-,42+,43+,44+,48-,50+,51+,52+,53+,54+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory concentration against plasmin				J Med Chem 48: 6908-17 (2005) Article DOI: 10.1021/jm050488k BindingDB Entry DOI: 10.7270/Q24M959K
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