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Compile Data Set for Download or QSAR

Found 53 hits of ic50 data for polymerid = 4819   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Furin


(Homo sapiens (Human))
BDBM50601763
PNG
(CHEMBL5197625 | US11773078, Example 62)
Show SMILES COC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 0.158n/an/an/an/an/an/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))
BDBM50601761
PNG
(CHEMBL5203869 | US11773078, Example 263)
Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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n/an/a 0.158n/an/an/an/an/an/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))
BDBM50601747
PNG
(CHEMBL5175553 | US11773078, Example 11)
Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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n/an/a 0.251n/an/an/an/an/an/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))
BDBM50601762
PNG
(CHEMBL5190891 | US11773078, Example 369)
Show SMILES CC(CCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CNC(C)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1)C(O)=O
PDB

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n/an/a 0.501n/an/an/an/an/an/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))
BDBM50601704
PNG
(CHEMBL5184039)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
PDB

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n/an/a 0.560n/an/an/an/an/an/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))
BDBM50601703
PNG
(CHEMBL5202322)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(C(N)=N)c(F)c1 |r|
PDB

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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))
BDBM50601759
PNG
(CHEMBL5175809 | US11773078, Example 298)
Show SMILES C[C@@H](O)CN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1 |r|
PDB

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n/an/a 0.631n/an/an/an/an/an/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))
BDBM50601750
PNG
(CHEMBL5182363 | US11773078, Example 41)
Show SMILES CNC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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UniChem
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/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))
BDBM50601757
PNG
(CHEMBL5206910 | US11773078, Example 131)
Show SMILES CC(CC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(C)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1)C(O)=O
PDB

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UniChem
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n/an/a 0.794n/an/an/an/an/an/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))
BDBM50601749
PNG
(CHEMBL5171461 | US11773078, Example 180)
Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCO)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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UniChem
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n/an/a 0.794n/an/an/an/an/an/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))
BDBM50601754
PNG
(CHEMBL5208861 | US11773078, Example 207)
Show SMILES CN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
PDB

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/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
3D
3D Structure (crystal)
Furin


(Homo sapiens (Human))
BDBM50601755
PNG
(CHEMBL5195577 | US11773078, Example 126)
Show SMILES CN1CCCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
PDB

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UniChem
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n/an/a 1n/an/an/an/an/an/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))
BDBM50601756
PNG
(CHEMBL5196204 | US11773078, Example 334)
Show SMILES OC(=O)CC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN4CCC3C4)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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UniChem
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n/an/a 1.30n/an/an/an/an/an/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))
BDBM50601760
PNG
(CHEMBL5180159 | US11773078, Example 306)
Show SMILES OCCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
PDB

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UniChem
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n/an/a 1.30n/an/an/an/an/an/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))
BDBM50601752
PNG
(CHEMBL5172689 | US11773078, Example 340)
Show SMILES CN1CCCN(CC1)c1cnc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
PDB

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UniChem
Article
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n/an/a 1.60n/an/an/an/an/an/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))
BDBM50601746
PNG
(CHEMBL5172764 | US11773078, Example 10)
Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CC(O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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UniChem
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n/an/a 2n/an/an/an/an/an/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))
BDBM50601751
PNG
(CHEMBL5200817 | US11773078, Example 339)
Show SMILES CN1CCN(CC1)c1cnc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
PDB

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n/an/a 2n/an/an/an/an/an/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))
CHEMBL5271690
PNG
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
UniChem
n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601758
PNG
(CHEMBL5170962 | US11773078, Example 242)
Show SMILES CS(=O)(=O)CCCN1CCN(CC1)c1ncc(Oc2cc(CN3CCC(CC(O)=O)CC3)cc(n2)-c2cc(Cl)cc(Cl)c2)cn1
PDB

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n/an/a 2.5n/an/an/an/an/an/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))
BDBM50601753
PNG
(CHEMBL5207406 | US11773078, Example 206)
Show SMILES OC(=O)CC1CCN(Cc2cc(Oc3cnc(nc3)N3CCNCC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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n/an/a 2.5n/an/an/an/an/an/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))
CHEMBL5275267
PNG
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
UniChem
n/an/a 2.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601702
PNG
(CHEMBL5199257)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(N)nc1 |r|
PDB

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n/an/a 3n/an/an/an/an/an/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))
CHEMBL5276332
PNG
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
UniChem
n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM207839
PNG
(US9266828, B)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6](-[#7])=[#7])c(F)c1 |r|
Show InChI InChI=1S/C31H45FN12O4/c1-16(2)25(44-28(47)23(41-17(3)45)5-4-12-39-30(35)36)29(48)43-24(14-18-6-9-20(10-7-18)42-31(37)38)27(46)40-15-19-8-11-21(26(33)34)22(32)13-19/h6-11,13,16,23-25H,4-5,12,14-15H2,1-3H3,(H3,33,34)(H,40,46)(H,41,45)(H,43,48)(H,44,47)(H4,35,36,39)(H4,37,38,42)/t23-,24-,25-/m0/s1
PDB

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UniChem
US Patent
n/an/a 3.70n/an/an/an/a7.5310.15



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Furin activity was measured in triplicate in wells of a 96-well plate in 0.2 ml 50 mM HEPES, pH 7.5, containing 1 mM CaCl2, 0.005% Brij-35 and 20% gl...


US Patent US9266828 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KFM
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
CHEMBL5285236
PNG
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
UniChem
n/an/a 4.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601748
PNG
(CHEMBL5169887 | US11773078, Example 12)
Show SMILES CC(=O)NCC1CCN(Cc2cc(Oc3ccc(nc3)N3CCN(CCS(C)(=O)=O)CC3)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1
PDB

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UniChem
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n/an/a 5n/an/an/an/an/an/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))
BDBM207838
PNG
(US9266828, A)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C31H46N12O4/c1-17(2)25(43-28(46)23(40-18(3)44)5-4-14-38-30(34)35)29(47)42-24(15-19-8-12-22(13-9-19)41-31(36)37)27(45)39-16-20-6-10-21(11-7-20)26(32)33/h6-13,17,23-25H,4-5,14-16H2,1-3H3,(H3,32,33)(H,39,45)(H,40,44)(H,42,47)(H,43,46)(H4,34,35,38)(H4,36,37,41)/t23-,24-,25-/m0/s1
PDB

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UniChem
US Patent
n/an/a 7n/an/an/an/a7.5310.15



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Furin activity was measured in triplicate in wells of a 96-well plate in 0.2 ml 50 mM HEPES, pH 7.5, containing 1 mM CaCl2, 0.005% Brij-35 and 20% gl...


US Patent US9266828 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KFM
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM207840
PNG
(US9266828, C)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1F)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C31H45FN12O4/c1-16(2)25(44-28(47)23(41-17(3)45)5-4-12-39-30(35)36)29(48)43-24(13-18-6-10-21(11-7-18)42-31(37)38)27(46)40-15-20-9-8-19(26(33)34)14-22(20)32/h6-11,14,16,23-25H,4-5,12-13,15H2,1-3H3,(H3,33,34)(H,40,46)(H,41,45)(H,43,48)(H,44,47)(H4,35,36,39)(H4,37,38,42)/t23-,24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/a7.5310.15



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Furin activity was measured in triplicate in wells of a 96-well plate in 0.2 ml 50 mM HEPES, pH 7.5, containing 1 mM CaCl2, 0.005% Brij-35 and 20% gl...


US Patent US9266828 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KFM
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601701
PNG
(CHEMBL5177253)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(CN)cc1 |r|
PDB

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n/an/a 9.5n/an/an/an/an/an/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))
BDBM50399746
PNG
(CHEMBL2179435)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C49H94N16O9/c1-26(2)22-35(58-31(11)66)43(70)62-37(24-28(5)6)45(72)64-38(25-29(7)8)46(73)63-36(23-27(3)4)44(71)60-34(18-15-21-57-49(54)55)42(69)65-39(30(9)10)47(74)61-33(16-12-13-19-50)41(68)59-32(40(51)67)17-14-20-56-48(52)53/h26-30,32-39H,12-25,50H2,1-11H3,(H2,51,67)(H,58,66)(H,59,68)(H,60,71)(H,61,74)(H,62,70)(H,63,73)(H,64,72)(H,65,69)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 20n/an/an/an/an/an/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))
BDBM50571192
PNG
(CHEMBL4869416)
Show SMILES COc1cc(ccc1O)C(NC1=NC(=O)C(CC(=O)Nc2ccc(cc2)C(O)=O)S1)c1c(O)[nH]c(=O)[nH]c1=O |t:12|
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human furin Protease


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128099
BindingDB Entry DOI: 10.7270/Q2RN3CN6
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50571193
PNG
(CHEMBL4877358)
Show SMILES Oc1ccccc1\C=N\NC(=N)c1nonc1NCNc1nonc1C(=N)N\N=C\c1ccccc1O
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human furin Protease


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128099
BindingDB Entry DOI: 10.7270/Q2RN3CN6
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM207842
PNG
(US9266828, E)
Show SMILES CC(C)[C@H](NS(=O)(=O)Cc1ccc(cc1)C(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C27H40N10O4S/c1-16(2)22(37-42(40,41)15-18-7-11-20(12-8-18)24(30)31)26(39)36-21(4-3-13-34-27(32)33)25(38)35-14-17-5-9-19(10-6-17)23(28)29/h5-12,16,21-22,37H,3-4,13-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,35,38)(H,36,39)(H4,32,33,34)/t21-,22-/m0/s1
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US Patent
n/an/a 300n/an/an/an/a7.5310.15



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Furin activity was measured in triplicate in wells of a 96-well plate in 0.2 ml 50 mM HEPES, pH 7.5, containing 1 mM CaCl2, 0.005% Brij-35 and 20% gl...


US Patent US9266828 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KFM
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM207841
PNG
(US9266828, D)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](\[#7])=[#7]\[#8] |r|
Show InChI InChI=1S/C31H46N12O5/c1-17(2)25(42-28(46)23(39-18(3)44)5-4-14-37-30(33)34)29(47)41-24(15-19-8-12-22(13-9-19)40-31(35)36)27(45)38-16-20-6-10-21(11-7-20)26(32)43-48/h6-13,17,23-25,48H,4-5,14-16H2,1-3H3,(H2,32,43)(H,38,45)(H,39,44)(H,41,47)(H,42,46)(H4,33,34,37)(H4,35,36,40)/t23-,24-,25-/m0/s1
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n/an/a 1.20E+3n/an/an/an/a7.5310.15



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Furin activity was measured in triplicate in wells of a 96-well plate in 0.2 ml 50 mM HEPES, pH 7.5, containing 1 mM CaCl2, 0.005% Brij-35 and 20% gl...


US Patent US9266828 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KFM
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM29692
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thi...)
Show SMILES CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
Show InChI InChI=1S/C13H21N2S2/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13/h5-7H,3-4,8-11H2,1-2H3/q+1
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n/an/a 3.15E+4n/an/an/an/an/an/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))
BDBM29692
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thi...)
Show SMILES CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
Show InChI InChI=1S/C13H21N2S2/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13/h5-7H,3-4,8-11H2,1-2H3/q+1
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM29692
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thi...)
Show SMILES CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
Show InChI InChI=1S/C13H21N2S2/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13/h5-7H,3-4,8-11H2,1-2H3/q+1
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n/an/a 3.38E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM29692
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thi...)
Show SMILES CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
Show InChI InChI=1S/C13H21N2S2/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13/h5-7H,3-4,8-11H2,1-2H3/q+1
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n/an/a 3.38E+4n/an/an/an/an/an/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))
BDBM75780
PNG
(5,5-Dimethyl-2-[(6-methyl-pyridin-2-ylamino)-methy...)
Show SMILES [#6]-c1cccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)n1
Show InChI InChI=1S/C15H18N2O2/c1-10-5-4-6-14(17-10)16-9-11-12(18)7-15(2,3)8-13(11)19/h4-6,9H,7-8H2,1-3H3,(H,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM66635
PNG
(MLS000737122 | SMR000528383 | [4-[(2Z)-2-(4-amino-...)
Show SMILES CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
Show InChI InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)/b17-16+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50257184
PNG
(2-(5-nitrothiazol-2-ylthio)benzo[d]thiazole | BI-8...)
Show SMILES [O-][N+](=O)c1cnc(Sc2nc3ccccc3s2)s1
Show InChI InChI=1S/C10H5N3O2S3/c14-13(15)8-5-11-9(17-8)18-10-12-6-3-1-2-4-7(6)16-10/h1-5H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of furin (unknown origin)


Bioorg Med Chem 17: 2712-7 (2009)


Article DOI: 10.1016/j.bmc.2009.02.046
BindingDB Entry DOI: 10.7270/Q2J38SF0
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM74846
PNG
((5Z)-1-(3-methylphenyl)-5-[(E)-3-phenylazanylprop-...)
Show SMILES Cc1cccc(c1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O |w:14.15,11.11|
Show InChI InChI=1S/C20H17N3O3/c1-14-7-5-10-16(13-14)23-19(25)17(18(24)22-20(23)26)11-6-12-21-15-8-3-2-4-9-15/h2-13,25H,1H3,(H,22,24,26)/b11-6+,21-12+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50257103
PNG
(5-methoxy-2-(5-nitrothiazol-2-ylthio)benzo[d]thiaz...)
Show SMILES COc1ccc2sc(Sc3ncc(s3)[N+]([O-])=O)nc2c1
Show InChI InChI=1S/C11H7N3O3S3/c1-17-6-2-3-8-7(4-6)13-11(18-8)20-10-12-5-9(19-10)14(15)16/h2-5H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of furin (unknown origin)


Bioorg Med Chem 17: 2712-7 (2009)


Article DOI: 10.1016/j.bmc.2009.02.046
BindingDB Entry DOI: 10.7270/Q2J38SF0
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM75778
PNG
((4-Dimethylamino-phenyl)-[(4-dimethylamino-phenyl)...)
Show SMILES CCCOP(=O)(C(Nc1ccccc1)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H34N3O2P/c1-6-20-31-32(30,25-18-16-24(17-19-25)29(4)5)26(27-22-10-8-7-9-11-22)21-12-14-23(15-13-21)28(2)3/h7-19,26-27H,6,20H2,1-5H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM67896
PNG
((5E)-5-(3-methylbenzylidene)-2-[N'-(1,7,7-trimethy...)
Show SMILES [H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1cccc(C)c1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
Show InChI InChI=1S/C21H25N3OS/c1-13-6-5-7-14(10-13)11-16-18(25)22-19(26-16)24-23-17-12-15-8-9-21(17,4)20(15,2)3/h5-7,10-11,15H,8-9,12H2,1-4H3,(H,22,24,25)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM71871
PNG
(5,5-dimethyl-2-[(3-pyridinylamino)methylidene]cycl...)
Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccnc2)-[#6](=O)-[#6]1
Show InChI InChI=1S/C14H16N2O2/c1-14(2)6-12(17)11(13(18)7-14)9-16-10-4-3-5-15-8-10/h3-5,8-9,16H,6-7H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM60407
PNG
((5Z)-5-[[4-(dimethylamino)anilino]methylene]-1-(o-...)
Show SMILES CN(C)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O |w:9.9,(3.08,3.47,;4.41,4.24,;4.41,5.78,;5.75,3.47,;7.08,4.24,;8.41,3.47,;8.41,1.93,;7.08,1.16,;5.75,1.93,;9.75,1.16,;11.08,1.93,;12.42,1.16,;12.42,-.39,;11.08,-1.16,;13.75,-1.16,;13.75,-2.7,;15.08,-3.47,;15.08,-5.01,;13.75,-5.78,;12.42,-5.01,;12.42,-3.47,;11.08,-2.7,;15.08,-.39,;16.42,-1.16,;15.08,1.16,;13.75,1.93,;13.75,3.47,)|
Show InChI InChI=1S/C20H20N4O3/c1-13-6-4-5-7-17(13)24-19(26)16(18(25)22-20(24)27)12-21-14-8-10-15(11-9-14)23(2)3/h4-12,26H,1-3H3,(H,22,25,27)/b21-12+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM75777
PNG
(2-[[(4-ketoquinazolin-3-yl)amino]methylene]-5,5-di...)
Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-n2cnc3ccccc3c2=O)-[#6](=O)-[#6]1
Show InChI InChI=1S/C17H17N3O3/c1-17(2)7-14(21)12(15(22)8-17)9-19-20-10-18-13-6-4-3-5-11(13)16(20)23/h3-6,9-10,19H,7-8H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50310142
PNG
(5-(5-Nitrothiazol-2-ylthio)-N-propyl-1,3,4-thiadia...)
Show SMILES CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C8H9N5O2S3/c1-2-3-9-6-11-12-8(17-6)18-7-10-4-5(16-7)13(14)15/h4H,2-3H2,1H3,(H,9,11)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of FURIN


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50310147
PNG
(BI-98A10 | CHEMBL599518 | N-sec-Butyl-5-(5-nitroth...)
Show SMILES CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C9H11N5O2S3/c1-3-5(2)11-7-12-13-9(18-7)19-8-10-4-6(17-8)14(15)16/h4-5H,3H2,1-2H3,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of FURIN


Bioorg Med Chem 18: 590-6 (2010)


Article DOI: 10.1016/j.bmc.2009.12.013
BindingDB Entry DOI: 10.7270/Q25M65TG
More data for this
Ligand-Target Pair
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