BDBM50291993 10-Hydroxy-9-isobutyl-6-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-4,7,10-trioxo-11-oxa-3,8-diaza-10lambda*5*-phospha-bicyclo[12.3.1]octadeca-1(17),14(18),15-triene-12-carboxylic acid methyl ester::CHEMBL315745

SMILES: COC(=O)[C@@H]1Cc2cccc(CNC(=O)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[P@@](O)(=O)O1)c2

InChI Key: InChIKey=BOYAGOIPWLIWCX-KDJDBPPTSA-N

Data: 1 KI

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 = 50291993   

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
Penicillopepsin (Penicillium janthinellum)	BDBM50291993 (10-Hydroxy-9-isobutyl-6-[3-methyl-2-(3-methyl-buty...) Show SMILES COC(=O)[C@@H]1Cc2cccc(CNC(=O)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[P@@](O)(=O)O1)c2 Show InChI InChI=1S/C30H47N4O9P/c1-17(2)11-25(36)33-27(19(5)6)29(38)32-22-15-24(35)31-16-21-10-8-9-20(13-21)14-23(30(39)42-7)43-44(40,41)26(12-18(3)4)34-28(22)37/h8-10,13,17-19,22-23,26-27H,11-12,14-16H2,1-7H3,(H,31,35)(H,32,38)(H,33,36)(H,34,37)(H,40,41)/t22-,23-,26+,27?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against penicillopepsin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair