BDBM50399753 CHEMBL2179835

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

InChI Key: InChIKey=QKXIYITZZUBQFY-XTZJLTRESA-N

Data: 2 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 2 hits for monomerid = 50399753   

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
Subtilisin/kexin type 6 (Homo sapiens (Human))	BDBM50399753 (CHEMBL2179835) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#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]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C37H74N18O9/c1-20(40)28(57)50-22(10-3-5-15-38)29(58)51-24(12-7-17-47-35(41)42)30(59)52-25(13-8-18-48-36(43)44)32(61)55-27(21(2)56)33(62)53-23(11-4-6-16-39)31(60)54-26(34(63)64)14-9-19-49-37(45)46/h20-27,56H,3-19,38-40H2,1-2H3,(H,50,57)(H,51,58)(H,52,59)(H,53,62)(H,54,60)(H,55,61)(H,63,64)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t20-,21+,22-,23-,24-,25-,26-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant PACE4 expressed in Drosophila S2 cells using pyroGlu-Arg-Val-Lys-Arg-methyl-coumaryl-7-amide as substrate...				J Med Chem 55: 10501-11 (2012) Article DOI: 10.1021/jm3011178 BindingDB Entry DOI: 10.7270/Q2NV9KDZ
					More data for this Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA (Homo sapiens (Human))	BDBM50399753 (CHEMBL2179835) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#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]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C37H74N18O9/c1-20(40)28(57)50-22(10-3-5-15-38)29(58)51-24(12-7-17-47-35(41)42)30(59)52-25(13-8-18-48-36(43)44)32(61)55-27(21(2)56)33(62)53-23(11-4-6-16-39)31(60)54-26(34(63)64)14-9-19-49-37(45)46/h20-27,56H,3-19,38-40H2,1-2H3,(H,50,57)(H,51,58)(H,52,59)(H,53,62)(H,54,60)(H,55,61)(H,63,64)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t20-,21+,22-,23-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant furin expressed in Drosophila S2 cells using pyroGlu-Arg-Val-Lys-Arg-methyl-coumaryl-7-amide as substrate...				J Med Chem 55: 10501-11 (2012) Article DOI: 10.1021/jm3011178 BindingDB Entry DOI: 10.7270/Q2NV9KDZ
					More data for this Ligand-Target Pair