BDBM50326027 CHEMBL1240612

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cc3CSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N

InChI Key: InChIKey=TVXHODLMTNOZPW-RMLLXOFQSA-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 = 50326027   

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
Cathepsin G (Homo sapiens (Human))	BDBM50326027 (CHEMBL1240612) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cc3CSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C77H106N18O21S3/c1-41(2)21-50-69(108)84-33-63(100)87-52(26-44-13-8-6-9-14-44)73(112)93-55-38-117-35-46-23-47(25-48(24-46)37-119-40-57(92-67(106)43(5)78)76(115)89-51(22-42(3)4)72(111)90-53(27-45-15-10-7-11-16-45)74(113)91-54(28-66(104)105)75(114)88-50)36-118-39-56(70(109)82-29-59(79)96)94-77(116)58-17-12-20-95(58)64(101)34-85-68(107)49(18-19-65(102)103)86-62(99)32-81-60(97)30-80-61(98)31-83-71(55)110/h6-11,13-16,23-25,41-43,49-58H,12,17-22,26-40,78H2,1-5H3,(H2,79,96)(H,80,98)(H,81,97)(H,82,109)(H,83,110)(H,84,108)(H,85,107)(H,86,99)(H,87,100)(H,88,114)(H,89,115)(H,90,111)(H,91,113)(H,92,106)(H,93,112)(H,94,116)(H,102,103)(H,104,105)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Molecular Biology, Medical Research Council Curated by ChEMBL					Assay Description Inhibition of human cathepsin G using N-Suc-Ala-Ala-Phe-Pro-pNA substrate by calorimetric assay				Nat Chem Biol 5: 502-7 (2009) Article DOI: 10.1038/nchembio.184 BindingDB Entry DOI: 10.7270/Q2Z60P9P
					More data for this Ligand-Target Pair