BDBM50448477 CHEMBL3126401

SMILES: [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O

InChI Key: InChIKey=QODDQNZLKJSUEE-WZACZQKUSA-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 = 50448477   

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
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA (Homo sapiens (Human))	BDBM50448477 (CHEMBL3126401) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H103N29O11/c1-29(70-37(83)27-79(77-31(3)82)25-11-23-68-50(61)62)41(86)71-33(15-8-20-65-47(55)56)43(88)73-35(17-10-22-67-49(59)60)45(90)74-34(16-9-21-66-48(57)58)44(89)72-32(13-4-6-18-52)42(87)75-36(14-5-7-19-53)46(91)78-80(26-12-24-69-51(63)64)28-38(84)76-39(30(2)81)40(54)85/h29-30,32-36,39,81H,4-28,52-53H2,1-3H3,(H2,54,85)(H,70,83)(H,71,86)(H,72,89)(H,73,88)(H,74,90)(H,75,87)(H,76,84)(H,77,82)(H,78,91)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t29-,30+,32-,33-,34-,35-,36-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins				J Med Chem 57: 29-41 (2014) Article DOI: 10.1021/jm400633d BindingDB Entry DOI: 10.7270/Q27M09FJ
					More data for this Ligand-Target Pair