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Compile Data Set for Download or QSAR

Found 38 hits of ec50 data for polymerid = 50006811   
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
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))		BDBM50120990
PNG
(CHEMBL3623057)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)CN(CC(N)=O)C(=O)CCCCCNC(=O)C[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](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CNCC(O)=O)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C86H133N21O15S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-27-43-95-73(113)55-106(54-69(87)109)74(114)41-26-19-28-42-94-70(110)49-62(47-59-32-20-16-21-33-59)99-79(117)66(40-30-45-97-86(90)91)101-82(120)68(56-123)103-80(118)65(39-29-44-96-85(88)89)100-71(111)50-64-38-31-46-107(64)84(122)78(76(60-34-22-17-23-35-60)61-36-24-18-25-37-61)105-81(119)67(48-63-51-93-57-98-63)102-83(121)77(58(2)108)104-72(112)52-92-53-75(115)116/h16-18,20-25,32-37,51,57-58,62,64-68,76-78,92,108,123H,3-15,19,26-31,38-50,52-56H2,1-2H3,(H2,87,109)(H,93,98)(H,94,110)(H,95,113)(H,99,117)(H,100,111)(H,101,120)(H,102,121)(H,103,118)(H,104,112)(H,105,119)(H,115,116)(H4,88,89,96)(H4,90,91,97)/t58-,62+,64+,65+,66+,67+,68+,77+,78+/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
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
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))		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))		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))		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))		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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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))		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))		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))		BDBM50120959
PNG
(CHEMBL3623073)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)NCCCCCC(=O)N(CC(N)=O)CC(=O)NCCCCCCCCCCCCCCCC)c1)NC(C)=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C86H128N18O12S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-27-45-92-73(107)53-103(52-72(87)106)74(108)44-26-19-28-46-93-77(109)69-57-118-55-61-35-29-36-62(50-61)56-119-58-70(96-59(2)105)82(114)102-76(75(63-37-22-17-23-38-63)64-39-24-18-25-40-64)84(116)104-49-32-43-71(104)83(115)98-66(42-31-48-95-86(90)91)79(111)100-68(54-117)81(113)97-65(41-30-47-94-85(88)89)78(110)99-67(80(112)101-69)51-60-33-20-16-21-34-60/h16-18,20-25,29,33-40,50,65-71,75-76,117H,3-15,19,26-28,30-32,41-49,51-58H2,1-2H3,(H2,87,106)(H,92,107)(H,93,109)(H,96,105)(H,97,113)(H,98,115)(H,99,110)(H,100,111)(H,101,112)(H,102,114)(H4,88,89,94)(H4,90,91,95)/t65-,66-,67-,68-,69-,70-,71-,76-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120950
PNG
(CHEMBL3621378)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)CC(c3ccccc3)c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N1)c2 |r|
Show InChI InChI=1S/C75H112N14O10S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-37-66(90)80-40-42-98-44-45-99-43-41-81-68(92)64-52-101-50-55-29-24-30-56(46-55)51-102-53-65(84-67(91)48-59(57-31-19-15-20-32-57)58-33-21-16-22-34-58)73(97)86-61(36-26-39-83-75(78)79)70(94)88-63(49-100)72(96)85-60(35-25-38-82-74(76)77)69(93)87-62(71(95)89-64)47-54-27-17-14-18-28-54/h14-22,24,27-34,46,59-65,100H,2-13,23,25-26,35-45,47-53H2,1H3,(H,80,90)(H,81,92)(H,84,91)(H,85,96)(H,86,97)(H,87,93)(H,88,94)(H,89,95)(H4,76,77,82)(H4,78,79,83)/t60-,61-,62-,63-,64-,65-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120961
PNG
(CHEMBL3623071)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c1)NC(C)=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C60H79N15O9S3/c1-36(76)68-47-35-87-33-39-18-11-17-38(29-39)32-86-34-46(51(61)77)73-54(80)44(30-37-15-5-2-6-16-37)71-52(78)42(23-12-26-66-59(62)63)69-55(81)45(31-85)72-53(79)43(24-13-27-67-60(64)65)70-57(83)48-25-14-28-75(48)58(84)50(74-56(47)82)49(40-19-7-3-8-20-40)41-21-9-4-10-22-41/h2-11,15-22,29,42-50,85H,12-14,23-28,30-35H2,1H3,(H2,61,77)(H,68,76)(H,69,81)(H,70,83)(H,71,78)(H,72,79)(H,73,80)(H,74,82)(H4,62,63,66)(H4,64,65,67)/t42-,43-,44-,45-,46-,47-,48-,50-/m0/s1
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n/an/an/an/a 54n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120960
PNG
(CHEMBL3623072)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c1)NC(=O)[C@@H](NC(=O)CNCC(O)=O)[C@@H](C)O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C66H89N17O13S3/c1-38(84)54(81-51(85)31-72-32-52(86)87)63(95)80-49-37-99-35-41-18-11-17-40(29-41)34-98-36-48(56(67)88)79-59(91)46(30-39-15-5-2-6-16-39)77-57(89)44(23-12-26-73-65(68)69)75-60(92)47(33-97)78-58(90)45(24-13-27-74-66(70)71)76-62(94)50-25-14-28-83(50)64(96)55(82-61(49)93)53(42-19-7-3-8-20-42)43-21-9-4-10-22-43/h2-11,15-22,29,38,44-50,53-55,72,84,97H,12-14,23-28,30-37H2,1H3,(H2,67,88)(H,75,92)(H,76,94)(H,77,89)(H,78,90)(H,79,91)(H,80,95)(H,81,85)(H,82,93)(H,86,87)(H4,68,69,73)(H4,70,71,74)/t38-,44+,45+,46+,47+,48+,49+,50+,54+,55+/m1/s1
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n/an/an/an/a 75n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120953
PNG
(CHEMBL3621375)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)CCSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)NCCOCCOCCN)c1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C64H89N15O10S3/c65-26-31-88-33-34-89-32-29-70-56(81)51-41-92-40-44-17-10-16-43(36-44)39-91-35-25-53(80)78-55(54(45-18-6-2-7-19-45)46-20-8-3-9-21-46)62(87)79-30-13-24-52(79)61(86)74-48(23-12-28-72-64(68)69)58(83)76-50(38-90)60(85)73-47(22-11-27-71-63(66)67)57(82)75-49(59(84)77-51)37-42-14-4-1-5-15-42/h1-10,14-21,36,47-52,54-55,90H,11-13,22-35,37-41,65H2,(H,70,81)(H,73,85)(H,74,86)(H,75,82)(H,76,83)(H,77,84)(H,78,80)(H4,66,67,71)(H4,68,69,72)/t47-,48-,49-,50-,51-,52-,55-/m0/s1
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n/an/an/an/a 92n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120958
PNG
(CHEMBL3621370)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC1=O)C(N)=O)c2)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C53H69N13O7S3/c54-46(68)43-31-75-29-34-15-10-16-35(25-34)30-76-32-44(61-45(67)27-38(36-17-6-2-7-18-36)37-19-8-3-9-20-37)51(73)63-40(22-12-24-60-53(57)58)48(70)65-42(28-74)50(72)62-39(21-11-23-59-52(55)56)47(69)64-41(49(71)66-43)26-33-13-4-1-5-14-33/h1-10,13-20,25,38-44,74H,11-12,21-24,26-32H2,(H2,54,68)(H,61,67)(H,62,72)(H,63,73)(H,64,69)(H,65,70)(H,66,71)(H4,55,56,59)(H4,57,58,60)/t39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 104n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120957
PNG
(CHEMBL3621371)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC1=O)C(N)=O)c2)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C59H73N13O7S3/c60-51(74)48-36-81-34-39-18-13-19-40(30-39)35-82-37-49(67-50(73)32-59(41-20-7-2-8-21-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43)56(79)69-45(27-15-29-66-58(63)64)53(76)71-47(33-80)55(78)68-44(26-14-28-65-57(61)62)52(75)70-46(54(77)72-48)31-38-16-5-1-6-17-38/h1-13,16-25,30,44-49,80H,14-15,26-29,31-37H2,(H2,60,74)(H,67,73)(H,68,78)(H,69,79)(H,70,75)(H,71,76)(H,72,77)(H4,61,62,65)(H4,63,64,66)/t44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 113n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120954
PNG
(CHEMBL3621374)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)NCCOCCOCCN)c1)NC(C)=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C66H92N16O11S3/c1-42(83)75-53-41-96-39-45-18-11-17-44(35-45)38-95-40-52(57(84)72-29-32-93-34-33-92-31-26-67)80-60(87)50(36-43-15-5-2-6-16-43)78-58(85)48(23-12-27-73-65(68)69)76-61(88)51(37-94)79-59(86)49(24-13-28-74-66(70)71)77-63(90)54-25-14-30-82(54)64(91)56(81-62(53)89)55(46-19-7-3-8-20-46)47-21-9-4-10-22-47/h2-11,15-22,35,48-56,94H,12-14,23-34,36-41,67H2,1H3,(H,72,84)(H,75,83)(H,76,88)(H,77,90)(H,78,85)(H,79,86)(H,80,87)(H,81,89)(H4,68,69,73)(H4,70,71,74)/t48-,49-,50-,51-,52-,53-,54-,56-/m0/s1
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n/an/an/an/a 165n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
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))		BDBM50120955
PNG
(CHEMBL3621373)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CSCc2cccc(CSCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC1=O)c2)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C52H68N12O6S3/c53-51(54)58-23-11-21-40-47(67)63-42(28-34-13-4-1-5-14-34)46(66)57-25-26-72-31-35-15-10-16-36(27-35)32-73-33-44(60-45(65)29-39(37-17-6-2-7-18-37)38-19-8-3-9-20-38)50(70)62-41(22-12-24-59-52(55)56)48(68)64-43(30-71)49(69)61-40/h1-10,13-20,27,39-44,71H,11-12,21-26,28-33H2,(H,57,66)(H,60,65)(H,61,69)(H,62,70)(H,63,67)(H,64,68)(H4,53,54,58)(H4,55,56,59)/t40-,41-,42-,43-,44+/m0/s1
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n/an/an/an/a 269n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120970
PNG
(CHEMBL3623062)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c1)NC(C)=O |r|
Show InChI InChI=1S/C54H75N15O9S3/c1-32(70)62-43-31-81-29-36-17-8-16-35(24-36)28-80-30-42(45(55)71)68-48(74)39(25-33-12-4-2-5-13-33)65-46(72)37(18-9-21-60-53(56)57)63-49(75)41(27-79)67-47(73)38(19-10-22-61-54(58)59)64-51(77)44-20-11-23-69(44)52(78)40(66-50(43)76)26-34-14-6-3-7-15-34/h2-8,12-17,24,37-44,79H,9-11,18-23,25-31H2,1H3,(H2,55,71)(H,62,70)(H,63,75)(H,64,77)(H,65,72)(H,66,76)(H,67,73)(H,68,74)(H4,56,57,60)(H4,58,59,61)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 272n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120919
PNG
(CHEMBL3621383)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O |r|
Show InChI InChI=1S/C55H77N13O13S2/c1-6-29(3)43(52(78)60-36(46(57)72)21-32-15-10-8-11-16-32)65-50(76)40-27-83-82-26-35(56)47(73)61-38(24-42(70)71)49(75)67-45(31(5)69)54(80)62-37(23-34-25-58-28-59-34)48(74)63-39(22-33-17-12-9-13-18-33)55(81)68-20-14-19-41(68)51(77)66-44(30(4)7-2)53(79)64-40/h8-13,15-18,25,28-31,35-41,43-45,69H,6-7,14,19-24,26-27,56H2,1-5H3,(H2,57,72)(H,58,59)(H,60,78)(H,61,73)(H,62,80)(H,63,74)(H,64,79)(H,65,76)(H,66,77)(H,67,75)(H,70,71)/t29-,30-,31+,35-,36-,37-,38-,39-,40-,41-,43-,44-,45-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120956
PNG
(CHEMBL3621372)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC1=O)C(N)=O)c2)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C53H69N13O7S3/c54-46(68)43-31-75-29-34-15-10-16-35(25-34)30-76-32-44(61-45(67)27-38(36-17-6-2-7-18-36)37-19-8-3-9-20-37)51(73)63-40(22-12-24-60-53(57)58)48(70)65-42(28-74)50(72)62-39(21-11-23-59-52(55)56)47(69)64-41(49(71)66-43)26-33-13-4-1-5-14-33/h1-10,13-20,25,38-44,74H,11-12,21-24,26-32H2,(H2,54,68)(H,61,67)(H,62,72)(H,63,73)(H,64,69)(H,65,70)(H,66,71)(H4,55,56,59)(H4,57,58,60)/t39-,40-,41-,42-,43-,44+/m0/s1
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n/an/an/an/a 335n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120951
PNG
(CHEMBL3621377)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1)NC(=O)CCCCCCCCCCCCCCC)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C73H106N14O8S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-39-62(88)81-60-50-98-49-53-31-24-30-52(45-53)48-97-44-42-78-65(89)58(46-51-28-17-14-18-29-51)84-66(90)56(36-25-40-79-72(74)75)82-68(92)59(47-96)85-67(91)57(37-26-41-80-73(76)77)83-70(94)61-38-27-43-87(61)71(95)64(86-69(60)93)63(54-32-19-15-20-33-54)55-34-21-16-22-35-55/h14-22,24,28-35,45,56-61,63-64,96H,2-13,23,25-27,36-44,46-50H2,1H3,(H,78,89)(H,81,88)(H,82,92)(H,83,94)(H,84,90)(H,85,91)(H,86,93)(H4,74,75,79)(H4,76,77,80)/t56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 369n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120949
PNG
(CHEMBL3621380)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CSCc2cccc(CSCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC1=O)c2 |r|
Show InChI InChI=1S/C68H99N13O7S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-37-58(82)81-60(59(51-31-19-15-20-32-51)52-33-21-16-22-34-52)66(88)80-57-47-91-46-50-30-24-29-49(42-50)45-90-41-40-73-61(83)55(43-48-27-17-14-18-28-48)78-62(84)53(35-25-38-74-67(69)70)76-64(86)56(44-89)79-63(85)54(77-65(57)87)36-26-39-75-68(71)72/h14-22,24,27-34,42,53-57,59-60,89H,2-13,23,25-26,35-41,43-47H2,1H3,(H,73,83)(H,76,86)(H,77,87)(H,78,84)(H,79,85)(H,80,88)(H,81,82)(H4,69,70,74)(H4,71,72,75)/t53-,54-,55-,56-,57-,60+/m0/s1
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n/an/an/an/a 458n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120966
PNG
(CHEMBL3623066)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1ccc(Oc3ccc(CSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)cc3)cc1)NC(C)=O |r|
Show InChI InChI=1S/C60H79N15O10S3/c1-36(76)68-49-35-88-33-40-20-24-42(25-21-40)85-41-22-18-39(19-23-41)32-87-34-48(51(61)77)74-54(80)45(29-37-11-4-2-5-12-37)71-52(78)43(15-8-26-66-59(62)63)69-55(81)47(31-86)73-53(79)44(16-9-27-67-60(64)65)70-57(83)50-17-10-28-75(50)58(84)46(72-56(49)82)30-38-13-6-3-7-14-38/h2-7,11-14,18-25,43-50,86H,8-10,15-17,26-35H2,1H3,(H2,61,77)(H,68,76)(H,69,81)(H,70,83)(H,71,78)(H,72,82)(H,73,79)(H,74,80)(H4,62,63,66)(H4,64,65,67)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/an/a 477n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120965
PNG
(CHEMBL3623067)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1cccc(Cc3cccc(CSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c3)c1)NC(C)=O |r|
Show InChI InChI=1S/C61H81N15O9S3/c1-37(77)69-50-36-88-34-43-20-9-18-41(29-43)27-40-17-8-19-42(28-40)33-87-35-49(52(62)78)75-55(81)46(30-38-13-4-2-5-14-38)72-53(79)44(21-10-24-67-60(63)64)70-56(82)48(32-86)74-54(80)45(22-11-25-68-61(65)66)71-58(84)51-23-12-26-76(51)59(85)47(73-57(50)83)31-39-15-6-3-7-16-39/h2-9,13-20,28-29,44-51,86H,10-12,21-27,30-36H2,1H3,(H2,62,78)(H,69,77)(H,70,82)(H,71,84)(H,72,79)(H,73,83)(H,74,80)(H,75,81)(H4,63,64,67)(H4,65,66,68)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/an/an/a 517n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120962
PNG
(CHEMBL3623070)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c1)NC(=O)[C@@H](NC(=O)CNCC(O)=O)[C@@H](C)O |r|
Show InChI InChI=1S/C60H85N17O13S3/c1-34(78)49(76-47(79)27-66-28-48(80)81)57(89)75-45-33-93-31-38-17-8-16-37(24-38)30-92-32-44(50(61)82)74-53(85)41(25-35-12-4-2-5-13-35)71-51(83)39(18-9-21-67-59(62)63)69-54(86)43(29-91)73-52(84)40(19-10-22-68-60(64)65)70-56(88)46-20-11-23-77(46)58(90)42(72-55(45)87)26-36-14-6-3-7-15-36/h2-8,12-17,24,34,39-46,49,66,78,91H,9-11,18-23,25-33H2,1H3,(H2,61,82)(H,69,86)(H,70,88)(H,71,83)(H,72,87)(H,73,84)(H,74,85)(H,75,89)(H,76,79)(H,80,81)(H4,62,63,67)(H4,64,65,68)/t34-,39+,40+,41+,42+,43+,44+,45+,46+,49+/m1/s1
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n/an/an/an/a 532n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120971
PNG
(CHEMBL3623061)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1ccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C54H75N15O9S3/c1-32(70)62-43-31-81-29-36-20-18-35(19-21-36)28-80-30-42(45(55)71)68-48(74)39(25-33-11-4-2-5-12-33)65-46(72)37(15-8-22-60-53(56)57)63-49(75)41(27-79)67-47(73)38(16-9-23-61-54(58)59)64-51(77)44-17-10-24-69(44)52(78)40(66-50(43)76)26-34-13-6-3-7-14-34/h2-7,11-14,18-21,37-44,79H,8-10,15-17,22-31H2,1H3,(H2,55,71)(H,62,70)(H,63,75)(H,64,77)(H,65,72)(H,66,76)(H,67,73)(H,68,74)(H4,56,57,60)(H4,58,59,61)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 586n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120969
PNG
(CHEMBL3623063)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1ccccc1CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C54H75N15O9S3/c1-32(70)62-43-31-81-29-36-18-9-8-17-35(36)28-80-30-42(45(55)71)68-48(74)39(25-33-13-4-2-5-14-33)65-46(72)37(19-10-22-60-53(56)57)63-49(75)41(27-79)67-47(73)38(20-11-23-61-54(58)59)64-51(77)44-21-12-24-69(44)52(78)40(66-50(43)76)26-34-15-6-3-7-16-34/h2-9,13-18,37-44,79H,10-12,19-31H2,1H3,(H2,55,71)(H,62,70)(H,63,75)(H,64,77)(H,65,72)(H,66,76)(H,67,73)(H,68,74)(H4,56,57,60)(H4,58,59,61)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 599n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120989
PNG
(CHEMBL3623058)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C46H67N15O9S3/c1-26(62)54-35-25-73-72-24-34(37(47)63)60-40(66)31(21-27-11-4-2-5-12-27)57-38(64)29(15-8-18-52-45(48)49)55-41(67)33(23-71)59-39(65)30(16-9-19-53-46(50)51)56-43(69)36-17-10-20-61(36)44(70)32(58-42(35)68)22-28-13-6-3-7-14-28/h2-7,11-14,29-36,71H,8-10,15-25H2,1H3,(H2,47,63)(H,54,62)(H,55,67)(H,56,69)(H,57,64)(H,58,68)(H,59,65)(H,60,66)(H4,48,49,52)(H4,50,51,53)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120988
PNG
(CHEMBL3623059)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCC(=O)NCCNC(=O)CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C52H77N17O11S3/c1-30(70)62-39-27-83-29-42(72)59-21-20-58-41(71)28-82-26-38(43(53)73)68-46(76)35(23-31-11-4-2-5-12-31)65-44(74)33(15-8-18-60-51(54)55)63-47(77)37(25-81)67-45(75)34(16-9-19-61-52(56)57)64-49(79)40-17-10-22-69(40)50(80)36(66-48(39)78)24-32-13-6-3-7-14-32/h2-7,11-14,33-40,81H,8-10,15-29H2,1H3,(H2,53,73)(H,58,71)(H,59,72)(H,62,70)(H,63,77)(H,64,79)(H,65,74)(H,66,78)(H,67,75)(H,68,76)(H4,54,55,60)(H4,56,57,61)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120972
PNG
(CHEMBL3623060)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCCS(=O)(=O)CCSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C50H75N15O11S4/c1-30(66)58-39-29-79-22-24-80(75,76)23-21-78-28-38(41(51)67)64-44(70)35(25-31-11-4-2-5-12-31)61-42(68)33(15-8-18-56-49(52)53)59-45(71)37(27-77)63-43(69)34(16-9-19-57-50(54)55)60-47(73)40-17-10-20-65(40)48(74)36(62-46(39)72)26-32-13-6-3-7-14-32/h2-7,11-14,33-40,77H,8-10,15-29H2,1H3,(H2,51,67)(H,58,66)(H,59,71)(H,60,73)(H,61,68)(H,62,72)(H,63,69)(H,64,70)(H4,52,53,56)(H4,54,55,57)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120920
PNG
(CHEMBL3621379)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CSCc2cccc(CSCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC1=O)c2 |r|
Show InChI InChI=1S/C68H99N13O7S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-37-58(82)81-60(59(51-31-19-15-20-32-51)52-33-21-16-22-34-52)66(88)80-57-47-91-46-50-30-24-29-49(42-50)45-90-41-40-73-61(83)55(43-48-27-17-14-18-28-48)78-62(84)53(35-25-38-74-67(69)70)76-64(86)56(44-89)79-63(85)54(77-65(57)87)36-26-39-75-68(71)72/h14-22,24,27-34,42,53-57,59-60,89H,2-13,23,25-26,35-41,43-47H2,1H3,(H,73,83)(H,76,86)(H,77,87)(H,78,84)(H,79,85)(H,80,88)(H,81,82)(H4,69,70,74)(H4,71,72,75)/t53-,54-,55-,56-,57-,60-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120968
PNG
(CHEMBL3623064)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)n1)NC(C)=O |r|
Show InChI InChI=1S/C53H74N16O9S3/c1-31(70)61-42-30-81-28-35-17-8-16-34(62-35)27-80-29-41(44(54)71)68-47(74)38(24-32-12-4-2-5-13-32)65-45(72)36(18-9-21-59-52(55)56)63-48(75)40(26-79)67-46(73)37(19-10-22-60-53(57)58)64-50(77)43-20-11-23-69(43)51(78)39(66-49(42)76)25-33-14-6-3-7-15-33/h2-8,12-17,36-43,79H,9-11,18-30H2,1H3,(H2,54,71)(H,61,70)(H,63,75)(H,64,77)(H,65,72)(H,66,76)(H,67,73)(H,68,74)(H4,55,56,59)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120952
PNG
(CHEMBL3621376)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c1)NC(=O)CCCCCCCCCCCCCCC)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C74H107N15O9S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-39-62(90)82-60-49-101-47-52-31-24-30-51(43-52)46-100-48-59(65(75)91)87-68(94)57(44-50-28-17-14-18-29-50)85-66(92)55(36-25-40-80-73(76)77)83-69(95)58(45-99)86-67(93)56(37-26-41-81-74(78)79)84-71(97)61-38-27-42-89(61)72(98)64(88-70(60)96)63(53-32-19-15-20-33-53)54-34-21-16-22-35-54/h14-22,24,28-35,43,55-61,63-64,99H,2-13,23,25-27,36-42,44-49H2,1H3,(H2,75,91)(H,82,90)(H,83,95)(H,84,97)(H,85,92)(H,86,93)(H,87,94)(H,88,96)(H4,76,77,80)(H4,78,79,81)/t55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120964
PNG
(CHEMBL3623068)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]4([H])CCCN4C(=O)[C@H](Cc4ccccc4)NC(=O)[C@]([H])(CSCc(c3)c1)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C96H134N28O16S5/c1-55(125)110-74-53-144-50-61-40-60-41-62(42-61)51-145-54-75(122-84(132)68(44-57-22-8-3-9-23-57)116-80(128)64(29-15-35-107-94(100)101)112-86(134)72(48-142)120-81(129)65(30-16-36-108-95(102)103)113-89(137)76-32-18-38-123(76)91(139)69(117-87(74)135)45-58-24-10-4-11-25-58)88(136)118-70(46-59-26-12-5-13-27-59)92(140)124-39-19-33-77(124)90(138)114-66(31-17-37-109-96(104)105)82(130)119-71(47-141)85(133)111-63(28-14-34-106-93(98)99)79(127)115-67(43-56-20-6-2-7-21-56)83(131)121-73(78(97)126)52-143-49-60/h2-13,20-27,40-42,63-77,141-142H,14-19,28-39,43-54H2,1H3,(H2,97,126)(H,110,125)(H,111,133)(H,112,134)(H,113,137)(H,114,138)(H,115,127)(H,116,128)(H,117,135)(H,118,136)(H,119,130)(H,120,129)(H,121,131)(H,122,132)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)(H4,104,105,109)/t63-,64-,65-,66-,67-,68?,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120963
PNG
(CHEMBL3623069)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCC(=O)OCCOC(=O)CSCC1([H])NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)C([H])(CSCC(=O)OCCOC(=O)CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](Cc3ccccc3)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)NC(C)=O |r|
Show InChI InChI=1S/C140H199N41O31S7/c1-80(182)160-103-73-217-77-110(184)210-61-62-212-112(186)79-219-75-105-128(202)172-98(68-86-39-18-7-19-40-86)134(208)180-57-27-48-107(180)130(204)165-91(45-24-54-158-139(150)151)118(192)173-99(69-213)123(197)161-87(41-20-50-154-135(142)143)114(188)167-93(63-81-29-8-2-9-30-81)120(194)176-102(113(141)187)72-216-76-109(183)209-59-60-211-111(185)78-218-74-104(127(201)171-97(67-85-37-16-6-17-38-85)133(207)181-58-28-49-108(181)131(205)166-92(46-25-55-159-140(152)153)119(193)175-101(71-215)125(199)163-89(43-22-52-156-137(146)147)116(190)169-95(122(196)178-105)65-83-33-12-4-13-34-83)177-121(195)94(64-82-31-10-3-11-32-82)168-115(189)88(42-21-51-155-136(144)145)162-124(198)100(70-214)174-117(191)90(44-23-53-157-138(148)149)164-129(203)106-47-26-56-179(106)132(206)96(170-126(103)200)66-84-35-14-5-15-36-84/h2-19,29-40,87-108,213-215H,20-28,41-79H2,1H3,(H2,141,187)(H,160,182)(H,161,197)(H,162,198)(H,163,199)(H,164,203)(H,165,204)(H,166,205)(H,167,188)(H,168,189)(H,169,190)(H,170,200)(H,171,201)(H,172,202)(H,173,192)(H,174,191)(H,175,193)(H,176,194)(H,177,195)(H,178,196)(H4,142,143,154)(H4,144,145,155)(H4,146,147,156)(H4,148,149,157)(H4,150,151,158)(H4,152,153,159)/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104?,105?,106-,107-,108-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair
Solute carrier family 40 member 1


(Homo sapiens (Human))		BDBM50120967
PNG
(CHEMBL3623065)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSCc1cccc3cccc(CSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c13)NC(C)=O |r|
Show InChI InChI=1S/C58H77N15O9S3/c1-34(74)66-46-33-85-31-39-20-9-18-37-17-8-19-38(48(37)39)30-84-32-45(49(59)75)72-52(78)42(27-35-13-4-2-5-14-35)69-50(76)40(21-10-24-64-57(60)61)67-53(79)44(29-83)71-51(77)41(22-11-25-65-58(62)63)68-55(81)47-23-12-26-73(47)56(82)43(70-54(46)80)28-36-15-6-3-7-16-36/h2-9,13-20,40-47,83H,10-12,21-33H2,1H3,(H2,59,75)(H,66,74)(H,67,79)(H,68,81)(H,69,76)(H,70,80)(H,71,77)(H,72,78)(H4,60,61,64)(H4,62,63,65)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/an/an/a>600n/an/an/an/a



University of California at Los Angeles

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis

Bioorg Med Chem Lett 25: 4961-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.012
BindingDB Entry DOI: 10.7270/Q2CR5W6Z
More data for this
Ligand-Target Pair