BDBM50326025 CHEMBL1240614

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c2cc3-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccccc4)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccc(-[#8])cc4)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c(c3)c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]

InChI Key: InChIKey=KFQMGWFQBHKBGY-KJPQYHEHSA-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 = 50326025   

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))	BDBM50326025 (CHEMBL1240614) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c2cc3-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccccc4)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccc(-[#8])cc4)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c(c3)c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7] |r| Show InChI InChI=1S/C87H127N25O25S3/c1-42(2)26-56-78(130)103-53(15-11-25-96-87(93)94)75(127)99-45(6)72(124)101-54(20-22-64(89)114)76(128)104-55(21-23-67(117)118)77(129)106-60(33-69(121)122)82(134)111-63-41-140-38-50-28-48(27-49(29-50)37-139-40-62(83(135)105-56)109-71(123)44(5)88)36-138-39-61(74(126)97-34-65(90)115)110-79(131)57(30-46-12-8-7-9-13-46)100-66(116)35-98-73(125)52(14-10-24-95-86(91)92)102-81(133)59(32-68(119)120)107-80(132)58(31-47-16-18-51(113)19-17-47)108-85(137)70(43(3)4)112-84(63)136/h7-9,12-13,16-19,27-29,42-45,52-63,70,113H,10-11,14-15,20-26,30-41,88H2,1-6H3,(H2,89,114)(H2,90,115)(H,97,126)(H,98,125)(H,99,127)(H,100,116)(H,101,124)(H,102,133)(H,103,130)(H,104,128)(H,105,135)(H,106,129)(H,107,132)(H,108,137)(H,109,123)(H,110,131)(H,111,134)(H,112,136)(H,117,118)(H,119,120)(H,121,122)(H4,91,92,95)(H4,93,94,96)/t44-,45-,52-,53-,54-,55-,56-,57-,58?,59-,60-,61-,62-,63-,70+/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	200	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