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PubMed code 25599838

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061363
PNG
(CHEMBL3393875)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C(=C/S(N)(=O)=O)c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C93H138N22O17S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-30-47-101-79(121)58-114(57-76(94)118)81(123)46-29-20-31-48-102-85(124)72(52-64-35-21-16-22-36-64)109-87(126)71(45-33-50-104-93(97)98)108-89(128)74(60-133-75(61-134(99,131)132)65-37-23-17-24-38-65)111-86(125)70(44-32-49-103-92(95)96)107-77(119)54-69-43-34-51-115(69)91(130)84(82(66-39-25-18-26-40-66)67-41-27-19-28-42-67)113-88(127)73(53-68-55-100-62-106-68)110-90(129)83(63(2)117)112-78(120)56-105-80(122)59-116/h16-19,21-28,35-42,55,61-63,69-74,82-84,116-117H,3-15,20,29-34,43-54,56-60H2,1-2H3,(H2,94,118)(H,100,106)(H,101,121)(H,102,124)(H,105,122)(H,107,119)(H,108,128)(H,109,126)(H,110,129)(H,111,125)(H,112,120)(H,113,127)(H4,95,96,103)(H4,97,98,104)(H2,99,131,132)/b75-61-/t63-,69+,70+,71+,72+,73+,74+,83+,84+/m1/s1
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n/an/an/an/a 34n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061364
PNG
(CHEMBL3393874)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C=C/C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C88H133N21O17S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-27-43-95-73(115)55-108(54-70(89)112)75(117)41-26-19-28-44-96-80(120)67(49-60-32-20-16-21-33-60)103-82(122)66(40-30-46-98-88(92)93)102-84(124)69(57-127-48-42-76(118)119)105-81(121)65(39-29-45-97-87(90)91)101-71(113)51-64-38-31-47-109(64)86(126)79(77(61-34-22-17-23-35-61)62-36-24-18-25-37-62)107-83(123)68(50-63-52-94-58-100-63)104-85(125)78(59(2)111)106-72(114)53-99-74(116)56-110/h16-18,20-25,32-37,42,48,52,58-59,64-69,77-79,110-111H,3-15,19,26-31,38-41,43-47,49-51,53-57H2,1-2H3,(H2,89,112)(H,94,100)(H,95,115)(H,96,120)(H,99,116)(H,101,113)(H,102,124)(H,103,122)(H,104,125)(H,105,121)(H,106,114)(H,107,123)(H,118,119)(H4,90,91,97)(H4,92,93,98)/b48-42-/t59-,64+,65+,66+,67+,68+,69+,78+,79+/m1/s1
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n/an/an/an/a 218n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061366
PNG
(CHEMBL3393872)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C(=C/C(=O)OCC)C(=O)OCC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C93H141N21O19S/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-31-46-100-77(120)58-113(57-74(94)117)79(122)45-30-23-32-47-101-84(124)70(51-63-36-24-20-25-37-63)108-86(126)69(44-34-49-103-93(97)98)107-88(128)72(60-134-73(91(131)133-7-3)54-80(123)132-6-2)110-85(125)68(43-33-48-102-92(95)96)106-75(118)53-67-42-35-50-114(67)90(130)83(81(64-38-26-21-27-39-64)65-40-28-22-29-41-65)112-87(127)71(52-66-55-99-61-105-66)109-89(129)82(62(4)116)111-76(119)56-104-78(121)59-115/h20-22,24-29,36-41,54-55,61-62,67-72,81-83,115-116H,5-19,23,30-35,42-53,56-60H2,1-4H3,(H2,94,117)(H,99,105)(H,100,120)(H,101,124)(H,104,121)(H,106,118)(H,107,128)(H,108,126)(H,109,129)(H,110,125)(H,111,119)(H,112,127)(H4,95,96,102)(H4,97,98,103)/b73-54-/t62-,67+,68+,69+,70+,71+,72+,82+,83+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061360
PNG
(CHEMBL3393878)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C(=C/P(=O)(OCC)OCC)P(=O)(OCC)OCC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C95H151N21O21P2S/c1-7-12-13-14-15-16-17-18-19-20-21-22-23-35-50-102-80(122)61-115(60-77(96)119)82(124)49-34-27-36-51-103-87(125)74(55-67-40-28-24-29-41-67)110-89(127)73(48-38-53-105-95(99)100)109-91(129)76(64-140-83(139(133,136-10-4)137-11-5)63-138(132,134-8-2)135-9-3)112-88(126)72(47-37-52-104-94(97)98)108-78(120)57-71-46-39-54-116(71)93(131)86(84(68-42-30-25-31-43-68)69-44-32-26-33-45-69)114-90(128)75(56-70-58-101-65-107-70)111-92(130)85(66(6)118)113-79(121)59-106-81(123)62-117/h24-26,28-33,40-45,58,63,65-66,71-76,84-86,117-118H,7-23,27,34-39,46-57,59-62,64H2,1-6H3,(H2,96,119)(H,101,107)(H,102,122)(H,103,125)(H,106,123)(H,108,120)(H,109,129)(H,110,127)(H,111,130)(H,112,126)(H,113,121)(H,114,128)(H4,97,98,104)(H4,99,100,105)/b83-63-/t66-,71+,72+,73+,74+,75+,76+,85+,86+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061365
PNG
(CHEMBL3393873)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C(=C/C(=O)OC)C(=O)OC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C91H137N21O19S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-29-44-98-75(118)56-111(55-72(92)115)77(120)43-28-21-30-45-99-82(122)68(49-61-34-22-18-23-35-61)106-84(124)67(42-32-47-101-91(95)96)105-86(126)70(58-132-71(89(129)131-4)52-78(121)130-3)108-83(123)66(41-31-46-100-90(93)94)104-73(116)51-65-40-33-48-112(65)88(128)81(79(62-36-24-19-25-37-62)63-38-26-20-27-39-63)110-85(125)69(50-64-53-97-59-103-64)107-87(127)80(60(2)114)109-74(117)54-102-76(119)57-113/h18-20,22-27,34-39,52-53,59-60,65-70,79-81,113-114H,5-17,21,28-33,40-51,54-58H2,1-4H3,(H2,92,115)(H,97,103)(H,98,118)(H,99,122)(H,102,119)(H,104,116)(H,105,126)(H,106,124)(H,107,127)(H,108,123)(H,109,117)(H,110,125)(H4,93,94,100)(H4,95,96,101)/b71-52-/t60-,65+,66+,67+,68+,69+,70+,80+,81+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061367
PNG
(CHEMBL3393871)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C(=C/C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C97H149N21O19S/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-33-48-104-79(124)60-117(59-76(98)121)81(126)47-32-25-34-49-105-86(128)72(53-65-38-26-22-27-39-65)112-88(130)71(46-36-51-107-95(101)102)111-90(132)74(62-138-75(93(135)137-97(6,7)8)56-82(127)136-96(3,4)5)114-87(129)70(45-35-50-106-94(99)100)110-77(122)55-69-44-37-52-118(69)92(134)85(83(66-40-28-23-29-41-66)67-42-30-24-31-43-67)116-89(131)73(54-68-57-103-63-109-68)113-91(133)84(64(2)120)115-78(123)58-108-80(125)61-119/h22-24,26-31,38-43,56-57,63-64,69-74,83-85,119-120H,9-21,25,32-37,44-55,58-62H2,1-8H3,(H2,98,121)(H,103,109)(H,104,124)(H,105,128)(H,108,125)(H,110,122)(H,111,132)(H,112,130)(H,113,133)(H,114,129)(H,115,123)(H,116,131)(H4,99,100,106)(H4,101,102,107)/b75-56-/t64-,69+,70+,71+,72+,73+,74+,84+,85+/m1/s1
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n/an/an/an/a 6.30n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061368
PNG
(CHEMBL3393870)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C85H131N21O15S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-27-42-92-71(112)53-105(52-68(86)109)73(114)41-26-19-28-43-93-77(115)65(47-58-32-20-16-21-33-58)100-79(117)64(40-30-45-95-85(89)90)99-81(119)67(55-122)102-78(116)63(39-29-44-94-84(87)88)98-69(110)49-62-38-31-46-106(62)83(121)76(74(59-34-22-17-23-35-59)60-36-24-18-25-37-60)104-80(118)66(48-61-50-91-56-97-61)101-82(120)75(57(2)108)103-70(111)51-96-72(113)54-107/h16-18,20-25,32-37,50,56-57,62-67,74-76,107-108,122H,3-15,19,26-31,38-49,51-55H2,1-2H3,(H2,86,109)(H,91,97)(H,92,112)(H,93,115)(H,96,113)(H,98,110)(H,99,119)(H,100,117)(H,101,120)(H,102,116)(H,103,111)(H,104,118)(H4,87,88,94)(H4,89,90,95)/t57-,62+,63+,64+,65+,66+,67+,75+,76+/m1/s1
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n/an/an/an/a 4.20n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061361
PNG
(CHEMBL3393877)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C(=C/C(N)=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C89H135N23O17S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-27-42-98-74(119)54-111(53-71(91)116)76(121)41-26-19-28-43-99-81(123)66(47-59-32-20-16-21-33-59)106-83(125)65(40-30-45-101-89(95)96)105-85(127)68(56-130-69(80(92)122)50-70(90)115)108-82(124)64(39-29-44-100-88(93)94)104-72(117)49-63-38-31-46-112(63)87(129)79(77(60-34-22-17-23-35-60)61-36-24-18-25-37-61)110-84(126)67(48-62-51-97-57-103-62)107-86(128)78(58(2)114)109-73(118)52-102-75(120)55-113/h16-18,20-25,32-37,50-51,57-58,63-68,77-79,113-114H,3-15,19,26-31,38-49,52-56H2,1-2H3,(H2,90,115)(H2,91,116)(H2,92,122)(H,97,103)(H,98,119)(H,99,123)(H,102,120)(H,104,117)(H,105,127)(H,106,125)(H,107,128)(H,108,124)(H,109,118)(H,110,126)(H4,93,94,100)(H4,95,96,101)/b69-50-/t58-,63+,64+,65+,66+,67+,68+,78+,79+/m1/s1
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n/an/an/an/a 8.40n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))
BDBM50061362
PNG
(CHEMBL3393876)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS\C(=C/S(=O)(=O)C(C)(C)C)S(=O)(=O)C(C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)CNC(=O)CO)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C95H149N21O19S3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-33-48-102-78(122)59-115(58-75(96)119)80(124)47-32-25-34-49-103-85(125)72(53-65-38-26-22-27-39-65)110-87(127)71(46-36-51-105-93(99)100)109-89(129)74(61-136-81(138(134,135)95(6,7)8)62-137(132,133)94(3,4)5)112-86(126)70(45-35-50-104-92(97)98)108-76(120)55-69-44-37-52-116(69)91(131)84(82(66-40-28-23-29-41-66)67-42-30-24-31-43-67)114-88(128)73(54-68-56-101-63-107-68)111-90(130)83(64(2)118)113-77(121)57-106-79(123)60-117/h22-24,26-31,38-43,56,62-64,69-74,82-84,117-118H,9-21,25,32-37,44-55,57-61H2,1-8H3,(H2,96,119)(H,101,107)(H,102,122)(H,103,125)(H,106,123)(H,108,120)(H,109,129)(H,110,127)(H,111,130)(H,112,126)(H,113,121)(H,114,128)(H4,97,98,104)(H4,99,100,105)/b81-62+/t64-,69+,70+,71+,72+,73+,74+,83+,84+/m1/s1
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PubMed
n/an/an/an/a 10n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry


Bioorg Med Chem Lett 25: 763-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.094
BindingDB Entry DOI: 10.7270/Q28W3FZ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%