Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50000451 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 |
|---|
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50268806
(Ac-Tyr-Val-Nle-Gly-His-DPhe-Arg-Trp-Asp-Arg-Phe-Gl...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r,wU:12.21,56.58,35.35,81.85,45.46,4.4,100.104,wD:67.69,8.8,89.93,(6.82,-32.01,;5.49,-32.78,;5.49,-34.31,;4.16,-35.09,;4.16,-36.62,;2.82,-37.38,;1.49,-36.61,;1.49,-35.08,;.16,-37.38,;-1.17,-36.62,;-2.5,-37.4,;-2.5,-38.94,;-3.83,-36.63,;-3.83,-35.09,;-2.49,-34.32,;-1.16,-35.09,;.18,-34.32,;.18,-32.78,;1.51,-32,;-1.15,-32.01,;-2.49,-32.78,;-5.18,-37.37,;-6.51,-36.6,;-7.85,-37.37,;-6.51,-35.06,;.16,-38.93,;1.49,-39.69,;-1.18,-39.7,;5.49,-37.39,;5.49,-38.94,;6.83,-36.63,;8.16,-37.4,;9.49,-36.63,;9.49,-35.09,;10.83,-37.4,;12.17,-36.64,;12.17,-35.1,;13.5,-34.33,;14.91,-34.96,;15.95,-33.81,;15.17,-32.48,;13.66,-32.79,;13.5,-37.41,;13.5,-38.95,;14.83,-36.63,;16.17,-37.4,;16.17,-38.95,;17.5,-39.71,;18.84,-38.95,;20.17,-39.72,;20.17,-41.26,;18.83,-42.03,;17.5,-41.26,;17.5,-36.63,;17.5,-35.1,;18.83,-37.4,;20.18,-36.65,;20.18,-35.11,;21.51,-34.34,;21.51,-32.81,;22.84,-32.03,;22.85,-30.49,;21.51,-29.71,;24.18,-29.72,;21.51,-37.42,;21.51,-38.97,;22.84,-36.64,;24.17,-37.41,;24.17,-38.95,;25.5,-39.72,;26.91,-39.1,;27.94,-40.24,;27.17,-41.58,;27.64,-43.04,;26.61,-44.18,;25.1,-43.86,;24.63,-42.39,;25.66,-41.25,;25.5,-36.64,;25.5,-35.1,;26.84,-37.41,;28.17,-36.64,;28.17,-35.11,;29.5,-34.34,;30.83,-35.11,;29.5,-32.8,;29.5,-37.42,;29.5,-38.96,;30.84,-36.64,;32.17,-37.41,;32.17,-38.96,;33.49,-39.72,;33.49,-41.27,;34.82,-42.04,;34.83,-43.58,;33.49,-44.35,;36.16,-44.35,;33.49,-36.64,;33.49,-35.11,;34.83,-37.41,;36.16,-36.64,;36.16,-35.1,;37.5,-34.34,;38.83,-35.11,;40.16,-34.34,;40.17,-32.8,;38.84,-32.03,;37.5,-32.79,;37.5,-37.42,;37.5,-38.95,;38.83,-36.64,;40.16,-37.41,;41.48,-36.64,;42.83,-37.42,;41.48,-35.11,)| Show InChI InChI=1S/C77H104N22O16/c1-5-6-22-53(94-75(115)65(43(2)3)99-74(114)57(90-44(4)100)34-47-26-28-50(101)29-27-47)66(106)88-41-63(103)91-60(36-49-39-83-42-89-49)72(112)96-58(33-46-19-11-8-12-20-46)70(110)92-55(25-16-31-85-77(81)82)69(109)97-59(35-48-38-86-52-23-14-13-21-51(48)52)71(111)98-61(37-64(104)105)73(113)93-54(24-15-30-84-76(79)80)68(108)95-56(67(107)87-40-62(78)102)32-45-17-9-7-10-18-45/h7-14,17-21,23,26-29,38-39,42-43,53-61,65,86,101H,5-6,15-16,22,24-25,30-37,40-41H2,1-4H3,(H2,78,102)(H,83,89)(H,87,107)(H,88,106)(H,90,100)(H,91,103)(H,92,110)(H,93,113)(H,94,115)(H,95,108)(H,96,112)(H,97,109)(H,98,111)(H,99,114)(H,104,105)(H4,79,80,84)(H4,81,82,85)/t53-,54-,55-,56-,57-,58+,59-,60-,61-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50250591
(CHEMBL4072387)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C77H111N21O18S/c1-43(2)65(66(79)106)97-75(115)62-20-13-30-98(62)76(116)55(18-10-11-28-78)90-63(103)39-86-67(107)59(34-47-36-84-52-17-9-8-16-51(47)52)95-69(109)53(19-12-29-83-77(80)81)91-71(111)57(32-45-14-6-5-7-15-45)93-70(110)56(35-49-37-82-42-87-49)85-38-48(23-26-64(104)105)89-68(108)54(27-31-117-4)92-74(114)61(41-100)96-72(112)58(33-46-21-24-50(102)25-22-46)94-73(113)60(40-99)88-44(3)101/h5-9,14-17,21-22,24-25,36-37,42-43,48,53-62,65,84-85,99-100,102H,10-13,18-20,23,26-35,38-41,78H2,1-4H3,(H2,79,106)(H,82,87)(H,86,107)(H,88,101)(H,89,108)(H,90,103)(H,91,111)(H,92,114)(H,93,110)(H,94,113)(H,95,109)(H,96,112)(H,97,115)(H,104,105)(H4,80,81,83)/t48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50250586
(CHEMBL4093140)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H113N21O18/c1-5-6-19-54(93-75(115)62(42-101)97-73(113)59(34-47-24-27-51(103)28-25-47)95-74(114)61(41-100)89-45(4)102)69(109)90-49(26-29-65(105)106)39-86-57(36-50-38-83-43-88-50)71(111)94-58(33-46-16-8-7-9-17-46)72(112)92-55(22-14-31-84-78(81)82)70(110)96-60(35-48-37-85-53-20-11-10-18-52(48)53)68(108)87-40-64(104)91-56(21-12-13-30-79)77(117)99-32-15-23-63(99)76(116)98-66(44(2)3)67(80)107/h7-11,16-18,20,24-25,27-28,37-38,43-44,49,54-63,66,85-86,100-101,103H,5-6,12-15,19,21-23,26,29-36,39-42,79H2,1-4H3,(H2,80,107)(H,83,88)(H,87,108)(H,89,102)(H,90,109)(H,91,104)(H,92,112)(H,93,115)(H,94,111)(H,95,114)(H,96,110)(H,97,113)(H,98,116)(H,105,106)(H4,81,82,84)/t49-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-,66-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50250587
(CHEMBL4079302)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50250585
(CHEMBL4104092)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C74H100N22O15S/c1-41(2)62(96-63(102)49(75)30-44-22-24-47(97)25-23-44)72(111)91-53(26-29-112-3)64(103)86-39-60(99)88-57(34-46-37-81-40-87-46)70(109)93-55(32-43-16-8-5-9-17-43)68(107)89-52(21-13-28-83-74(79)80)67(106)94-56(33-45-36-84-50-19-11-10-18-48(45)50)69(108)95-58(35-61(100)101)71(110)90-51(20-12-27-82-73(77)78)66(105)92-54(65(104)85-38-59(76)98)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,84,97H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H2,76,98)(H,81,87)(H,85,104)(H,86,103)(H,88,99)(H,89,107)(H,90,110)(H,91,111)(H,92,105)(H,93,109)(H,94,106)(H,95,108)(H,96,102)(H,100,101)(H4,77,78,82)(H4,79,80,83)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50250582
(CHEMBL4068654)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C73H100N20O15S/c1-41(2)61(92-62(99)48(74)33-44-24-26-46(94)27-25-44)71(108)87-52(28-32-109-3)63(100)84-40-59(96)93-31-14-23-57(93)70(107)91-54(35-43-17-8-5-9-18-43)67(104)85-51(22-13-30-81-73(78)79)66(103)89-55(36-45-38-82-49-20-11-10-19-47(45)49)68(105)90-56(37-60(97)98)69(106)86-50(21-12-29-80-72(76)77)65(102)88-53(64(101)83-39-58(75)95)34-42-15-6-4-7-16-42/h4-11,15-20,24-27,38,41,48,50-57,61,82,94H,12-14,21-23,28-37,39-40,74H2,1-3H3,(H2,75,95)(H,83,101)(H,84,100)(H,85,104)(H,86,106)(H,87,108)(H,88,102)(H,89,103)(H,90,105)(H,91,107)(H,92,99)(H,97,98)(H4,76,77,80)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,61-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50026883
(CHEMBL437050)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins |
J Med Chem 60: 9320-9329 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB |
More data for this
Ligand-Target Pair | |
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