BDBM50292273 CHEMBL265019::Cyclohexanone derivative

SMILES: CC[C@H](C)[C@H](N)C(=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)OC

InChI Key: InChIKey=GEDYBYKVCXPVCO-OMGBVXQWSA-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 = 50292273   

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))	BDBM50292273 (CHEMBL265019 | Cyclohexanone derivative) Show SMILES CC[C@H](C)[C@H](N)C(=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)OC Show InChI InChI=1S/C65H76N12O13/c1-4-34(2)51(69)60(83)55(64(87)89-3)76-62(85)52(57(80)43(66)27-37-30-70-46-21-11-8-18-40(37)46)74-50(78)26-25-36-17-14-24-49(56(36)79)73-61(84)53(58(81)44(67)28-38-31-71-47-22-12-9-19-41(38)47)75-63(86)54(77-65(88)90-33-35-15-6-5-7-16-35)59(82)45(68)29-39-32-72-48-23-13-10-20-42(39)48/h5-13,15-16,18-23,30-32,34,36,43-45,49,51-55,70-72H,4,14,17,24-29,33,66-69H2,1-3H3,(H,73,84)(H,74,78)(H,75,86)(H,76,85)(H,77,88)/t34-,36+,43-,44-,45-,49+,51-,52-,53-,54-,55-/m0/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	1.35E+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
					More data for this Ligand-Target Pair