Found 2 hits Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50448477' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Furin
(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
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 | |
Furin
(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
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00518 BindingDB Entry DOI: 10.7270/Q26H4NG9 |
More data for this Ligand-Target Pair | |