Found 194 hits with Last Name = 'beauchemin' and Initial = 's' 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 |
|---|
Neuroendocrine convertase 2
(Homo sapiens (Human)) | BDBM50446944
(CHEMBL3115771)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]-c1ccc(cc1)-[#6](-[#7])=[#7] |r| Show InChI InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human PC2 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359261
(CHEMBL1923617)Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H41ClN4O4/c1-5-20(2)27-30(38)35(4)21(3)28(36)34-25(19-22-12-14-24(31)15-13-22)29(37)33-16-8-10-23-9-6-7-11-26(23)39-18-17-32-27/h6-7,9,11-15,20-21,25,27,32H,5,8,10,16-19H2,1-4H3,(H,33,37)(H,34,36)/t20-,21+,25+,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50002694
(MOTILIN)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80+,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]motilin from human MOTR |
J Med Chem 49: 7190-7 (2006)
Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359239
(CHEMBL1923629)Show SMILES C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C33H45FN4O4/c1-22-21-36-30(26-11-5-4-6-12-26)33(41)38(3)23(2)31(39)37-28(20-24-15-17-27(34)18-16-24)32(40)35-19-9-13-25-10-7-8-14-29(25)42-22/h7-8,10,14-18,22-23,26,28,30,36H,4-6,9,11-13,19-21H2,1-3H3,(H,35,40)(H,37,39)/t22-,23-,28-,30+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359250
(CHEMBL1923640)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NC[C@H]2CCc3cccc(CCCNC(=O)[C@@H](Cc4ccc(F)cc4)NC1=O)c3O2)C1CC1 |r| Show InChI InChI=1S/C31H39FN4O4/c1-19-29(37)35-26(17-20-8-13-24(32)14-9-20)30(38)33-16-4-7-22-5-3-6-23-12-15-25(40-28(22)23)18-34-27(21-10-11-21)31(39)36(19)2/h3,5-6,8-9,13-14,19,21,25-27,34H,4,7,10-12,15-18H2,1-2H3,(H,33,38)(H,35,37)/t19-,25-,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Neuroendocrine convertase 2
(Homo sapiens (Human)) | BDBM50446945
(CHEMBL3115770)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]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human PC2 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448473
(CHEMBL3126399)Show SMILES [#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]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r| Show InChI InChI=1S/C49H90N24O8/c1-28(67-41(77)33(68-29(2)74)13-7-23-62-46(54)55)39(75)69-35(14-8-24-63-47(56)57)43(79)72-37(16-10-26-65-49(60)61)45(81)73-36(15-9-25-64-48(58)59)44(80)71-34(12-4-6-22-51)42(78)70-32(11-3-5-21-50)40(76)66-27-30-17-19-31(20-18-30)38(52)53/h17-20,28,32-37H,3-16,21-27,50-51H2,1-2H3,(H3,52,53)(H,66,76)(H,67,77)(H,68,74)(H,69,75)(H,70,78)(H,71,80)(H,72,79)(H,73,81)(H4,54,55,62)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)/t28-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins |
J Med Chem 57: 29-41 (2014)
Article DOI: 10.1021/jm400633d
BindingDB Entry DOI: 10.7270/Q27M09FJ |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359252
(CHEMBL1923642)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H36F2N4O4/c1-18-27(36)34-24(16-19-5-10-22(30)11-6-19)28(37)33-13-3-4-20-9-12-23(31)17-25(20)39-15-14-32-26(21-7-8-21)29(38)35(18)2/h5-6,9-12,17-18,21,24,26,32H,3-4,7-8,13-16H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446944
(CHEMBL3115771)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]-c1ccc(cc1)-[#6](-[#7])=[#7] |r| Show InChI InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50446944
(CHEMBL3115771)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]-c1ccc(cc1)-[#6](-[#7])=[#7] |r| Show InChI InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant furin expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359259
(CHEMBL1923610)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H38N4O4/c1-20-27(34)32-24(19-21-9-4-3-5-10-21)28(35)31-16-8-12-22-11-6-7-13-25(22)37-18-17-30-26(23-14-15-23)29(36)33(20)2/h3-7,9-11,13,20,23-24,26,30H,8,12,14-19H2,1-2H3,(H,31,35)(H,32,34)/t20-,24-,26+/m1/s1 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359238
(CHEMBL1923628)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)c(C)c2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359238
(CHEMBL1923628)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)c(C)c2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359237
(CHEMBL1923627)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(C)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C30H40N4O4/c1-20-10-12-22(13-11-20)19-25-29(36)32-16-6-8-23-7-4-5-9-26(23)38-18-17-31-27(24-14-15-24)30(37)34(3)21(2)28(35)33-25/h4-5,7,9-13,21,24-25,27,31H,6,8,14-19H2,1-3H3,(H,32,36)(H,33,35)/t21-,25-,27+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446945
(CHEMBL3115770)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]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448472
(CHEMBL3126398)Show SMILES [#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]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C46H91N25O8/c1-27(65-37(75)30(66-28(2)72)15-9-23-61-43(51)52)35(73)67-32(16-10-24-62-44(53)54)39(77)70-34(18-12-26-64-46(57)58)41(79)71-33(17-11-25-63-45(55)56)40(78)69-31(14-4-6-20-48)38(76)68-29(13-3-5-19-47)36(74)59-21-7-8-22-60-42(49)50/h7-8,27,29-34H,3-6,9-26,47-48H2,1-2H3,(H,59,74)(H,65,75)(H,66,72)(H,67,73)(H,68,76)(H,69,78)(H,70,77)(H,71,79)(H4,49,50,60)(H4,51,52,61)(H4,53,54,62)(H4,55,56,63)(H4,57,58,64)/b8-7+/t27-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins |
J Med Chem 57: 29-41 (2014)
Article DOI: 10.1021/jm400633d
BindingDB Entry DOI: 10.7270/Q27M09FJ |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359233
(CHEMBL1923623)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2F)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-22-9-3-5-11-23(22)30)28(36)32-15-7-10-20-8-4-6-12-25(20)38-17-16-31-26(21-13-14-21)29(37)34(19)2/h3-6,8-9,11-12,19,21,24,26,31H,7,10,13-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1 | PDB
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| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359282
(CHEMBL1923609)Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H42N4O4/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-25(20-23-12-7-6-8-13-23)29(36)32-17-11-15-24-14-9-10-16-26(24)38-19-18-31-27/h6-10,12-14,16,21-22,25,27,31H,5,11,15,17-20H2,1-4H3,(H,32,36)(H,33,35)/t21-,22+,25+,27-/m0/s1 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359236
(CHEMBL1923626)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C1CC1 |r| Show InChI InChI=1S/C30H37F3N4O4/c1-19-27(38)36-24(18-20-9-13-23(14-10-20)30(31,32)33)28(39)35-15-5-7-21-6-3-4-8-25(21)41-17-16-34-26(22-11-12-22)29(40)37(19)2/h3-4,6,8-10,13-14,19,22,24,26,34H,5,7,11-12,15-18H2,1-2H3,(H,35,39)(H,36,38)/t19-,24-,26+/m1/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359235
(CHEMBL1923625)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-20-9-13-23(30)14-10-20)28(36)32-15-5-7-21-6-3-4-8-25(21)38-17-16-31-26(22-11-12-22)29(37)34(19)2/h3-4,6,8-10,13-14,19,22,24,26,31H,5,7,11-12,15-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1 | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50199368
((9R,12R,15S)-12-isopropyl-9-(4-methoxy-benzyl)-15-...)Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C Show InChI InChI=1S/C31H44N4O5/c1-5-9-25-29(36)33-17-8-11-23-10-6-7-12-27(23)40-19-18-32-26(20-22-13-15-24(39-4)16-14-22)30(37)35-28(21(2)3)31(38)34-25/h6-7,10,12-16,21,25-26,28,32H,5,8-9,11,17-20H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/t25-,26+,28+/m0/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]motilin from human MOTR |
J Med Chem 49: 7190-7 (2006)
Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448481
(CHEMBL3126400)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H102N28O11/c1-28(70-37(82)27-79(78-30(3)81)26-12-25-69-51(63)64)40(84)71-33(15-8-21-65-47(55)56)43(87)74-35(17-10-23-67-49(59)60)45(89)75-34(16-9-22-66-48(57)58)44(88)73-31(13-4-6-19-52)41(85)72-32(14-5-7-20-53)42(86)76-36(18-11-24-68-50(61)62)46(90)77-38(29(2)80)39(54)83/h28-29,31-36,38,80H,4-27,52-53H2,1-3H3,(H2,54,83)(H,70,82)(H,71,84)(H,72,85)(H,73,88)(H,74,87)(H,75,89)(H,76,86)(H,77,90)(H,78,81)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t28-,29+,31-,32-,33-,34-,35-,36-,38-/m0/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins |
J Med Chem 57: 29-41 (2014)
Article DOI: 10.1021/jm400633d
BindingDB Entry DOI: 10.7270/Q27M09FJ |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50199372
((9R,12R,15S)-12-isopropyl-9-naphthalen-1-ylmethyl-...)Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O)C(C)C Show InChI InChI=1S/C34H44N4O4/c1-4-11-28-32(39)36-19-10-16-25-13-6-8-18-30(25)42-21-20-35-29(33(40)38-31(23(2)3)34(41)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t28-,29+,31+/m0/s1 | PDB
Reactome pathway
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]motilin from human MOTR |
J Med Chem 49: 7190-7 (2006)
Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359247
(CHEMBL1923637)Show SMILES CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N1)C1CC1 |r| Show InChI InChI=1S/C30H39FN4O4/c1-19-18-39-26-9-5-4-7-22(26)8-6-16-32-29(37)25(17-21-10-14-24(31)15-11-21)34-28(36)20(2)35(3)30(38)27(33-19)23-12-13-23/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19?,20-,25-,27+/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50199359
((9R,12R,15S)-9-benzo[b]thiophen-3-ylmethyl-12-isop...)Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O)C(C)C Show InChI InChI=1S/C32H42N4O4S/c1-4-10-25-30(37)34-16-9-12-22-11-5-7-14-27(22)40-18-17-33-26(31(38)36-29(21(2)3)32(39)35-25)19-23-20-41-28-15-8-6-13-24(23)28/h5-8,11,13-15,20-21,25-26,29,33H,4,9-10,12,16-19H2,1-3H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26+,29+/m0/s1 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]motilin from human MOTR |
J Med Chem 49: 7190-7 (2006)
Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359249
(CHEMBL1923639)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCC(C)(C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-20-28(37)35-25(18-21-11-15-24(32)16-12-21)29(38)33-17-7-9-22-8-5-6-10-26(22)40-31(2,3)19-34-27(23-13-14-23)30(39)36(20)4/h5-6,8,10-12,15-16,20,23,25,27,34H,7,9,13-14,17-19H2,1-4H3,(H,33,38)(H,35,37)/t20-,25-,27+/m1/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446937
(CHEMBL3115764)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/c1-10-12-18-33(58-31(9)66)41(68)63-38(27-29(5)6)46(73)64-37(26-28(3)4)45(72)61-34(19-13-11-2)43(70)60-36(22-17-25-57-49(54)55)44(71)65-39(30(7)8)47(74)62-35(20-14-15-23-50)42(69)59-32(40(51)67)21-16-24-56-48(52)53/h28-30,32-39H,10-27,50H2,1-9H3,(H2,51,67)(H,58,66)(H,59,69)(H,60,70)(H,61,72)(H,62,74)(H,63,68)(H,64,73)(H,65,71)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 7
(Homo sapiens (Human)) | BDBM50446944
(CHEMBL3115771)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]-c1ccc(cc1)-[#6](-[#7])=[#7] |r| Show InChI InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1 | KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human PC7 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359262
(CHEMBL1923621)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C30H39ClN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359260
(CHEMBL1923611)Show SMILES CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C29H40N4O4/c1-4-11-24-29(36)33(3)21(2)27(34)32-25(20-22-12-6-5-7-13-22)28(35)31-17-10-15-23-14-8-9-16-26(23)37-19-18-30-24/h5-9,12-14,16,21,24-25,30H,4,10-11,15,17-20H2,1-3H3,(H,31,35)(H,32,34)/t21-,24+,25-/m1/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359256
(CHEMBL1923502 | ULIMORELIN)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448480
(CHEMBL3126392)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H102N28O11/c1-28(70-41(85)31(71-30(3)81)15-8-21-65-47(55)56)40(84)78-79(26-12-25-69-51(63)64)27-37(82)72-32(16-9-22-66-48(57)58)42(86)75-35(17-10-23-67-49(59)60)45(89)74-33(13-4-6-19-52)43(87)73-34(14-5-7-20-53)44(88)76-36(18-11-24-68-50(61)62)46(90)77-38(29(2)80)39(54)83/h28-29,31-36,38,80H,4-27,52-53H2,1-3H3,(H2,54,83)(H,70,85)(H,71,81)(H,72,82)(H,73,87)(H,74,89)(H,75,86)(H,76,88)(H,77,90)(H,78,84)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t28-,29+,31-,32-,33-,34-,35-,36-,38-/m0/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins |
J Med Chem 57: 29-41 (2014)
Article DOI: 10.1021/jm400633d
BindingDB Entry DOI: 10.7270/Q27M09FJ |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359251
(CHEMBL1923641)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NC[C@@H]2CCc3cccc(CCCNC(=O)[C@@H](Cc4ccc(F)cc4)NC1=O)c3O2)C1CC1 |r| Show InChI InChI=1S/C31H39FN4O4/c1-19-29(37)35-26(17-20-8-13-24(32)14-9-20)30(38)33-16-4-7-22-5-3-6-23-12-15-25(40-28(22)23)18-34-27(21-10-11-21)31(39)36(19)2/h3,5-6,8-9,13-14,19,21,25-27,34H,4,7,10-12,15-18H2,1-2H3,(H,33,38)(H,35,37)/t19-,25+,26-,27+/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50399746
(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 | Reactome pathway
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446951
(CHEMBL3115587)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/c1-11-12-17-33(58-31(10)66)41(68)62-37(25-28(4)5)45(72)64-38(26-29(6)7)46(73)63-36(24-27(2)3)44(71)60-35(20-16-23-57-49(54)55)43(70)65-39(30(8)9)47(74)61-34(18-13-14-21-50)42(69)59-32(40(51)67)19-15-22-56-48(52)53/h27-30,32-39H,11-26,50H2,1-10H3,(H2,51,67)(H,58,66)(H,59,69)(H,60,71)(H,61,74)(H,62,68)(H,63,73)(H,64,72)(H,65,70)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448479
(CHEMBL3126397)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H102N28O11/c1-28(70-41(85)31(71-30(3)81)15-8-21-65-47(55)56)40(84)72-33(16-9-22-66-48(57)58)43(87)74-35(18-11-24-68-50(61)62)45(89)75-34(17-10-23-67-49(59)60)44(88)73-32(13-4-6-19-52)42(86)76-36(14-5-7-20-53)46(90)78-79(26-12-25-69-51(63)64)27-37(82)77-38(29(2)80)39(54)83/h28-29,31-36,38,80H,4-27,52-53H2,1-3H3,(H2,54,83)(H,70,85)(H,71,81)(H,72,84)(H,73,88)(H,74,87)(H,75,89)(H,76,86)(H,77,82)(H,78,90)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t28-,29+,31-,32-,33-,34-,35-,36-,38-/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins |
J Med Chem 57: 29-41 (2014)
Article DOI: 10.1021/jm400633d
BindingDB Entry DOI: 10.7270/Q27M09FJ |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359234
(CHEMBL1923624)Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc(F)c2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-20-7-5-10-23(30)17-20)28(36)32-14-6-9-21-8-3-4-11-25(21)38-16-15-31-26(22-12-13-22)29(37)34(19)2/h3-5,7-8,10-11,17,19,22,24,26,31H,6,9,12-16,18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446936
(CHEMBL2179834)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 | Reactome pathway
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448478
(CHEMBL3126396)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H101N27O11/c1-27(70-40(83)30(71-29(3)80)15-8-22-65-47(55)56)39(82)72-33(16-9-23-66-48(57)58)43(86)75-35(18-11-25-68-50(61)62)45(88)76-34(17-10-24-67-49(59)60)44(87)74-31(13-4-6-20-52)41(84)73-32(14-5-7-21-53)42(85)77-36(19-12-26-69-51(63)64)46(89)78-37(28(2)79)38(54)81/h27-28,30-37,79H,4-26,52-53H2,1-3H3,(H2,54,81)(H,70,83)(H,71,80)(H,72,82)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,89)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins |
J Med Chem 57: 29-41 (2014)
Article DOI: 10.1021/jm400633d
BindingDB Entry DOI: 10.7270/Q27M09FJ |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359281
(CHEMBL1923608)Show SMILES CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H42N4O4/c1-21(2)19-26-30(37)34(4)22(3)28(35)33-25(20-23-11-6-5-7-12-23)29(36)32-16-10-14-24-13-8-9-15-27(24)38-18-17-31-26/h5-9,11-13,15,21-22,25-26,31H,10,14,16-20H2,1-4H3,(H,32,36)(H,33,35)/t22-,25-,26+/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446948
(CHEMBL3115769)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/c1-11-12-17-33(58-31(10)66)41(68)62-37(25-28(4)5)45(72)64-38(26-29(6)7)46(73)63-36(24-27(2)3)44(71)60-35(20-16-23-57-49(54)55)43(70)65-39(30(8)9)47(74)61-34(18-13-14-21-50)42(69)59-32(40(51)67)19-15-22-56-48(52)53/h27-30,32-39H,11-26,50H2,1-10H3,(H2,51,67)(H,58,66)(H,59,69)(H,60,71)(H,61,74)(H,62,68)(H,63,73)(H,64,72)(H,65,70)(H4,52,53,56)(H4,54,55,57)/t32-,33+,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446943
(CHEMBL3115590)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#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/c1-11-12-17-33(61-45(72)37(25-28(4)5)64-46(73)38(26-29(6)7)63-44(71)36(24-27(2)3)58-31(10)66)42(69)60-35(20-16-23-57-49(54)55)43(70)65-39(30(8)9)47(74)62-34(18-13-14-21-50)41(68)59-32(40(51)67)19-15-22-56-48(52)53/h27-30,32-39H,11-26,50H2,1-10H3,(H2,51,67)(H,58,66)(H,59,68)(H,60,69)(H,61,72)(H,62,74)(H,63,71)(H,64,73)(H,65,70)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50446945
(CHEMBL3115770)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]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant furin expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359269
(CHEMBL1923620)Show SMILES CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C31H43FN4O4/c1-6-20(2)28-31(39)36(5)22(4)29(37)35-26(18-23-13-15-25(32)16-14-23)30(38)33-17-9-11-24-10-7-8-12-27(24)40-21(3)19-34-28/h7-8,10,12-16,20-22,26,28,34H,6,9,11,17-19H2,1-5H3,(H,33,38)(H,35,37)/t20-,21+,22+,26+,28-/m0/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Furin
(Homo sapiens (Human)) | BDBM50448477
(CHEMBL3126401)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H103N29O11/c1-29(70-37(83)27-79(77-31(3)82)25-11-23-68-50(61)62)41(86)71-33(15-8-20-65-47(55)56)43(88)73-35(17-10-22-67-49(59)60)45(90)74-34(16-9-21-66-48(57)58)44(89)72-32(13-4-6-18-52)42(87)75-36(14-5-7-19-53)46(91)78-80(26-12-24-69-51(63)64)28-38(84)76-39(30(2)81)40(54)85/h29-30,32-36,39,81H,4-28,52-53H2,1-3H3,(H2,54,85)(H,70,83)(H,71,86)(H,72,89)(H,73,88)(H,74,90)(H,75,87)(H,76,84)(H,77,82)(H,78,91)(H4,55,56,65)(H4,57,58,66)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)/t29-,30+,32-,33-,34-,35-,36-,39-/m0/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins |
J Med Chem 57: 29-41 (2014)
Article DOI: 10.1021/jm400633d
BindingDB Entry DOI: 10.7270/Q27M09FJ |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359267
(CHEMBL1923618)Show SMILES CCC[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H41FN4O4/c1-5-9-25-30(38)35(4)21(3)28(36)34-26(18-22-13-15-24(31)16-14-22)29(37)32-17-8-11-23-10-6-7-12-27(23)39-20(2)19-33-25/h6-7,10,12-16,20-21,25-26,33H,5,8-9,11,17-19H2,1-4H3,(H,32,37)(H,34,36)/t20-,21-,25+,26-/m1/s1 | PDB
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| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359232
(CHEMBL1923622)Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C30H40N4O4/c1-20-19-32-27(24-15-16-24)30(37)34(3)21(2)28(35)33-25(18-22-10-5-4-6-11-22)29(36)31-17-9-13-23-12-7-8-14-26(23)38-20/h4-8,10-12,14,20-21,24-25,27,32H,9,13,15-19H2,1-3H3,(H,31,36)(H,33,35)/t20-,21-,25-,27+/m1/s1 | PDB
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UniChem
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| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359265
(CHEMBL1923614)Show SMILES CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC)NC1=O |r| Show InChI InChI=1S/C31H44N4O4/c1-5-21(3)28-31(38)34-25(6-2)30(37)35-26(19-23-13-8-7-9-14-23)29(36)32-18-12-16-24-15-10-11-17-27(24)39-22(4)20-33-28/h7-11,13-15,17,21-22,25-26,28,33H,5-6,12,16,18-20H2,1-4H3,(H,32,36)(H,34,38)(H,35,37)/t21-,22+,25+,26+,28-/m0/s1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 6
(Homo sapiens (Human)) | BDBM50446950
(CHEMBL3115588)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#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]\[#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/c1-11-12-17-33(60-44(71)36(24-27(2)3)58-31(10)66)42(69)63-38(26-29(6)7)46(73)64-37(25-28(4)5)45(72)61-35(20-16-23-57-49(54)55)43(70)65-39(30(8)9)47(74)62-34(18-13-14-21-50)41(68)59-32(40(51)67)19-15-22-56-48(52)53/h27-30,32-39H,11-26,50H2,1-10H3,(H2,51,67)(H,58,66)(H,59,68)(H,60,71)(H,61,72)(H,62,74)(H,63,69)(H,64,73)(H,65,70)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr |
J Med Chem 57: 98-109 (2014)
Article DOI: 10.1021/jm401457n
BindingDB Entry DOI: 10.7270/Q2S1840S |
More data for this
Ligand-Target Pair | |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50359283
(CHEMBL1923616)Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C31H44N4O4/c1-5-22(2)28-31(38)35(4)23(3)29(36)34-26(18-17-24-12-7-6-8-13-24)30(37)33-19-11-15-25-14-9-10-16-27(25)39-21-20-32-28/h6-10,12-14,16,22-23,26,28,32H,5,11,15,17-21H2,1-4H3,(H,33,37)(H,34,36)/t22-,23+,26+,28-/m0/s1 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tranzyme Pharma Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
J Med Chem 54: 8305-20 (2011)
Article DOI: 10.1021/jm2007062
BindingDB Entry DOI: 10.7270/Q2930TK0 |
More data for this
Ligand-Target Pair | |
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