Found 4 hits Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50448478' 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)) | BDBM50448478
(CHEMBL3126396)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]-[#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@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H101N27O11/c1-27(70-40(83)30(71-29(3)80)15-8-22-65-47(55)56)39(82)72-33(16-9-23-66-48(57)58)43(86)75-35(18-11-25-68-50(61)62)45(88)76-34(17-10-24-67-49(59)60)44(87)74-31(13-4-6-20-52)41(84)73-32(14-5-7-21-53)42(85)77-36(19-12-26-69-51(63)64)46(89)78-37(28(2)79)38(54)81/h27-28,30-37,79H,4-26,52-53H2,1-3H3,(H2,54,81)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,89)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant soluble human furin using pyroGlu-Arg-Thr-Lys-Arg-methyl-coumaryl-7-amide as substrate measured after 1 hr |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00386 BindingDB Entry DOI: 10.7270/Q2CN77KR |
More data for this Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448478
(CHEMBL3126396)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]-[#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@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H101N27O11/c1-27(70-40(83)30(71-29(3)80)15-8-22-65-47(55)56)39(82)72-33(16-9-23-66-48(57)58)43(86)75-35(18-11-25-68-50(61)62)45(88)76-34(17-10-24-67-49(59)60)44(87)74-31(13-4-6-20-52)41(84)73-32(14-5-7-21-53)42(85)77-36(19-12-26-69-51(63)64)46(89)78-37(28(2)79)38(54)81/h27-28,30-37,79H,4-26,52-53H2,1-3H3,(H2,54,81)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,89)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | 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 | |
Furin
(Homo sapiens (Human)) | BDBM50448478
(CHEMBL3126396)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]-[#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@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H101N27O11/c1-27(70-40(83)30(71-29(3)80)15-8-22-65-47(55)56)39(82)72-33(16-9-23-66-48(57)58)43(86)75-35(18-11-25-68-50(61)62)45(88)76-34(17-10-24-67-49(59)60)44(87)74-31(13-4-6-20-52)41(84)73-32(14-5-7-21-53)42(85)77-36(19-12-26-69-51(63)64)46(89)78-37(28(2)79)38(54)81/h27-28,30-37,79H,4-26,52-53H2,1-3H3,(H2,54,81)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,89)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | 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 | |
Furin
(Homo sapiens (Human)) | BDBM50448478
(CHEMBL3126396)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]-[#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@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H101N27O11/c1-27(70-40(83)30(71-29(3)80)15-8-22-65-47(55)56)39(82)72-33(16-9-23-66-48(57)58)43(86)75-35(18-11-25-68-50(61)62)45(88)76-34(17-10-24-67-49(59)60)44(87)74-31(13-4-6-20-52)41(84)73-32(14-5-7-21-53)42(85)77-36(19-12-26-69-51(63)64)46(89)78-37(28(2)79)38(54)81/h27-28,30-37,79H,4-26,52-53H2,1-3H3,(H2,54,81)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,89)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | 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 | |