Found 9 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Solute carrier family 40 member 1
(Homo sapiens (Human)) | BDBM50061363
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 218 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.40 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/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 | |