Found 621 hits with Last Name = 'white' and Initial = 'am' 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 |
|---|
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590042
(CHEMBL5175981)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCN)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| >0.00549 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590040
(CHEMBL5185945)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCN)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581303
(CHEMBL5087859)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581298
(CHEMBL5094168)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590031
(CHEMBL5203986)Show SMILES [H][C@]12CSCc3ccc(CSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)cc3 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513781
(CHEMBL4466351)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C72H95N19O21S2/c73-55(95)31-45-59(100)78-33-57(97)79-44(28-38-14-18-40(93)19-15-38)62(103)88-50-35-113-114-36-51(66(107)85-47(29-37-8-2-1-3-9-37)69(110)89-25-5-11-52(89)68(109)83-45)87-61(102)43(22-23-58(98)99)81-67(108)53-12-6-26-90(53)71(112)54-13-7-27-91(54)70(111)48(30-39-16-20-41(94)21-17-39)84-64(105)49(34-92)86-60(101)42(10-4-24-77-72(75)76)80-63(104)46(32-56(74)96)82-65(50)106/h1-3,8-9,14-21,42-54,92-94H,4-7,10-13,22-36H2,(H2,73,95)(H2,74,96)(H,78,100)(H,79,97)(H,80,104)(H,81,108)(H,82,106)(H,83,109)(H,84,105)(H,85,107)(H,86,101)(H,87,102)(H,88,103)(H,98,99)(H4,75,76,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590039
(CHEMBL5185775)Show SMILES [H][C@]12CSC\C(CSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)=N\OCC(=O)NCCOCCOCCOCCN=[N+]=[N-] |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.389 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590030
(CHEMBL5175487)Show SMILES [H][C@]12CSCc3cccc(CSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590047
(CHEMBL5176443)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)OCC4C5CCc6c(CCC45)c4SC[C@]5([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@]([H])(CSc6nn4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4c[nH]c6ccccc46)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC5=O)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590041
(CHEMBL5207936)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCOCCOCCC(O)=O)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50590042
(CHEMBL5175981)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCN)C2CCc31 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590046
(CHEMBL5181812)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)OCC4C5CCc6c(CCC45)c4SC[C@]5([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@]([H])(CSc6nn4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4c[nH]c6ccccc46)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC5=O)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581296
(CHEMBL5092761)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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UniChem
| Article
PubMed
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581313
(CHEMBL5087839)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](C)C(=O)N1)[C@@H](C)O |r| | PDB
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antibodypedia
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UniChem
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| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590037
(CHEMBL5191309)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)nn3 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513784
(CHEMBL4550494)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C71H93N19O21S2/c72-54(94)29-43-58(99)77-32-56(96)78-42(26-37-14-18-39(92)19-15-37)60(101)86-49-34-112-113-35-50(65(106)84-46(27-36-8-2-1-3-9-36)68(109)88-23-5-11-51(88)66(107)81-43)87-62(103)45(31-57(97)98)82-67(108)52-12-6-24-89(52)70(111)53-13-7-25-90(53)69(110)47(28-38-16-20-40(93)21-17-38)83-63(104)48(33-91)85-59(100)41(10-4-22-76-71(74)75)79-61(102)44(30-55(73)95)80-64(49)105/h1-3,8-9,14-21,41-53,91-93H,4-7,10-13,22-35H2,(H2,72,94)(H2,73,95)(H,77,99)(H,78,96)(H,79,102)(H,80,105)(H,81,107)(H,82,108)(H,83,104)(H,84,106)(H,85,100)(H,86,101)(H,87,103)(H,97,98)(H4,74,75,76)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
MMDB
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B.MOAD
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| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590032
(CHEMBL5178164)Show SMILES [H][C@]12CSc3c(F)c(F)c(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c(F)c3F |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581297
(CHEMBL5091236)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1 |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50590042
(CHEMBL5175981)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCN)C2CCc31 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581311
(CHEMBL5083551)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N1)[C@@H](C)O |r| | PDB
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PC sid
UniChem
| Article
PubMed
| 0.912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581306
(CHEMBL5077095)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O |r| | PDB
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UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590033
(CHEMBL5170533)Show SMILES [H][C@]12CSCCCSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581299
(CHEMBL5075506)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O |r| | PDB
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UniChem
| Article
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581314
(CHEMBL5090946)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2)[C@@H](C)O |r| | PDB
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TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581310
(CHEMBL5077144)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O |r| | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581302
(CHEMBL5075712)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O |r| | PDB
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TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590029
(CHEMBL5192329)Show SMILES [H][C@]12CSCc3ccccc3CSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590038
(CHEMBL5172738)Show SMILES [H][C@]12CSC3=C(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)C(=O)N(CCCCC#C)C3=O |r,c:4| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581301
(CHEMBL5093939)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O)[C@@H](C)CC |r| | PDB
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TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50389769
(BREMELANOTIDE)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)| Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263818
(CHEMBL4089162)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H115N23O16S2/c1-9-41(3)60-71(112)94-54-38-118-119-39-55(68(109)97-62(44(6)103)72(113)88-43(5)63(104)92-53(37-102)66(107)96-61(42(4)10-2)76(117)101-31-19-27-58(101)75(116)100-30-18-26-56(100)69(110)95-60)93-64(105)50(24-16-28-84-77(79)80)89-70(111)59(33-46-35-86-49-23-15-14-22-48(46)49)99(8)74(115)57(25-17-29-85-78(81)82)98(7)73(114)52(32-45-20-12-11-13-21-45)91-65(106)51(90-67(54)108)34-47-36-83-40-87-47/h11-15,20-23,35-36,40-44,50-62,86,102-103H,9-10,16-19,24-34,37-39H2,1-8H3,(H,83,87)(H,88,113)(H,89,111)(H,90,108)(H,91,106)(H,92,104)(H,93,105)(H,94,112)(H,95,110)(H,96,107)(H,97,109)(H4,79,80,84)(H4,81,82,85)/t41-,42-,43-,44-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1 | PDB
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The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50389769
(BREMELANOTIDE)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)| Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50389769
(BREMELANOTIDE)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)| Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590034
(CHEMBL5190042)Show SMILES [H][C@]12CSCC(=O)CSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590044
(CHEMBL5179373)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCOCCNC(=O)OCC4C5CCc6nnn(CC(=O)N7CCCC[C@H]7C7(O)CN(C7)C(=O)c7ccc(F)c(F)c7Nc7ccc(I)cc7F)c6CCC45)C2CCc31 |r| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590045
(CHEMBL5204285)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCOCCNC(=O)OCC4C5CCc6c(CCC45)c4SC[C@]5([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@]([H])(CSc6nn4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4c[nH]c6ccccc46)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC5=O)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513785
(CHEMBL4575658)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C76H97N21O19S2/c77-60(100)32-51-63(104)83-35-61(101)85-49(28-40-10-2-1-3-11-40)66(107)94-55-37-117-118-38-56(70(111)91-53(30-42-33-82-46-13-5-4-12-45(42)46)74(115)95-25-7-15-57(95)72(113)89-51)93-65(106)48(22-23-62(102)103)87-71(112)58-16-8-26-96(58)75(116)59-17-9-27-97(59)73(114)52(29-41-18-20-44(99)21-19-41)90-68(109)54(36-98)92-64(105)47(14-6-24-81-76(78)79)86-67(108)50(88-69(55)110)31-43-34-80-39-84-43/h1-5,10-13,18-21,33-34,39,47-59,82,98-99H,6-9,14-17,22-32,35-38H2,(H2,77,100)(H,80,84)(H,83,104)(H,85,101)(H,86,108)(H,87,112)(H,88,110)(H,89,113)(H,90,109)(H,91,111)(H,92,105)(H,93,106)(H,94,107)(H,102,103)(H4,78,79,81)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590043
(CHEMBL5179081)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCNC(=O)c4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc45)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581308
(CHEMBL5090285)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263819
(CHEMBL4060381)Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=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](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
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 |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590028
(CHEMBL5195641)Show SMILES [H][C@]12CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c3ccccc13)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590035
(CHEMBL5185405)Show SMILES [H][C@]12CSC3=C(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=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]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)C(=O)NC3=O |r,c:4| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513783
(CHEMBL4456620)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C74H96N20O19S2/c75-58(97)33-49-61(101)80-35-59(98)82-47(29-40-11-3-1-4-12-40)64(104)91-53-37-114-115-38-54(68(108)88-50(30-41-13-5-2-6-14-41)71(111)92-26-8-16-55(92)70(110)86-49)90-63(103)46(23-24-60(99)100)84-69(109)56-17-9-27-93(56)73(113)57-18-10-28-94(57)72(112)51(31-42-19-21-44(96)22-20-42)87-66(106)52(36-95)89-62(102)45(15-7-25-79-74(76)77)83-65(105)48(85-67(53)107)32-43-34-78-39-81-43/h1-6,11-14,19-22,34,39,45-57,95-96H,7-10,15-18,23-33,35-38H2,(H2,75,97)(H,78,81)(H,80,101)(H,82,98)(H,83,105)(H,84,109)(H,85,107)(H,86,110)(H,87,106)(H,88,108)(H,89,102)(H,90,103)(H,91,104)(H,99,100)(H4,76,77,79)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581317
(CHEMBL5087814)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccc3ccccc3c1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
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