Found 302 hits with Last Name = 'wilczynski' and Initial = 'a' 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 4
(Mus musculus) | BDBM50089414
(CHEMBL3577996)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C49H64N12O8/c1-30-41(62)58-37(28-33-18-9-4-10-19-33)47(68)61-25-13-22-40(61)48(69)60-24-12-21-39(60)46(67)55-34(20-11-23-53-49(51)52)42(63)56-35(26-31-14-5-2-6-15-31)43(64)57-36(27-32-16-7-3-8-17-32)44(65)59-38(29-50)45(66)54-30/h2-10,14-19,30,34-40H,11-13,20-29,50H2,1H3,(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,62)(H,59,65)(H4,51,52,53)/t30-,34-,35-,36-,37-,38?,39-,40+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089413
(CHEMBL3577995)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C48H61N11O8/c1-30-41(61)57-37(28-33-18-9-4-10-19-33)46(66)59-25-13-22-39(59)47(67)58-24-12-21-38(58)45(65)54-34(20-11-23-51-48(49)50)43(63)56-36(27-32-16-7-3-8-17-32)44(64)55-35(26-31-14-5-2-6-15-31)42(62)52-29-40(60)53-30/h2-10,14-19,30,34-39H,11-13,20-29H2,1H3,(H,52,62)(H,53,60)(H,54,65)(H,55,64)(H,56,63)(H,57,61)(H4,49,50,51)/t30-,34-,35-,36-,37-,38-,39+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089418
(CHEMBL3578000)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C53H72N14O8/c1-33-44(68)65-41(32-36-20-9-4-10-21-36)50(74)67-29-15-25-43(67)51(75)66-28-14-24-42(66)49(73)62-38(23-13-27-59-53(56)57)46(70)63-40(31-35-18-7-3-8-19-35)48(72)64-39(30-34-16-5-2-6-17-34)47(71)61-37(45(69)60-33)22-11-12-26-58-52(54)55/h2-10,16-21,33,37-43H,11-15,22-32H2,1H3,(H,60,69)(H,61,71)(H,62,73)(H,63,70)(H,64,72)(H,65,68)(H4,54,55,58)(H4,56,57,59)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089415
(CHEMBL3577997)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C50H66N12O8/c1-31-42(63)60-39(30-34-18-9-4-10-19-34)48(69)62-27-13-22-41(62)49(70)61-26-12-21-40(61)47(68)57-35(20-11-25-54-50(52)53)44(65)58-38(29-33-16-7-3-8-17-33)46(67)59-37(28-32-14-5-2-6-15-32)45(66)56-36(23-24-51)43(64)55-31/h2-10,14-19,31,35-41H,11-13,20-30,51H2,1H3,(H,55,64)(H,56,66)(H,57,68)(H,58,65)(H,59,67)(H,60,63)(H4,52,53,54)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089417
(CHEMBL3577999)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C52H70N12O8/c1-33-44(65)62-41(32-36-20-9-4-10-21-36)50(71)64-29-15-25-43(64)51(72)63-28-14-24-42(63)49(70)59-38(23-13-27-56-52(54)55)46(67)60-40(31-35-18-7-3-8-19-35)48(69)61-39(30-34-16-5-2-6-17-34)47(68)58-37(45(66)57-33)22-11-12-26-53/h2-10,16-21,33,37-43H,11-15,22-32,53H2,1H3,(H,57,66)(H,58,68)(H,59,70)(H,60,67)(H,61,69)(H,62,65)(H4,54,55,56)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089416
(CHEMBL3577998)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C51H68N12O8/c1-32-43(64)61-40(31-35-19-9-4-10-20-35)49(70)63-28-14-24-42(63)50(71)62-27-13-23-41(62)48(69)58-37(22-12-26-55-51(53)54)45(66)59-39(30-34-17-7-3-8-18-34)47(68)60-38(29-33-15-5-2-6-16-33)46(67)57-36(21-11-25-52)44(65)56-32/h2-10,15-20,32,36-42H,11-14,21-31,52H2,1H3,(H,56,65)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,64)(H4,53,54,55)/t32-,36?,37-,38-,39-,40-,41-,42+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089409
(CHEMBL3577991)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C51H66N12O9/c1-31-43(65)61-39(29-34-18-9-4-10-19-34)49(71)63-27-13-22-41(63)50(72)62-26-12-21-40(62)48(70)58-35(20-11-25-55-51(53)54)44(66)59-37(28-33-16-7-3-8-17-33)47(69)57-36(24-23-32-14-5-2-6-15-32)45(67)60-38(30-42(52)64)46(68)56-31/h2-10,14-19,31,35-41H,11-13,20-30H2,1H3,(H2,52,64)(H,56,68)(H,57,69)(H,58,70)(H,59,66)(H,60,67)(H,61,65)(H4,53,54,55)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089404
(CHEMBL3577986)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)62-40(30-36-20-10-19-35-18-8-9-21-37(35)36)50(72)61-39(28-33-14-4-2-5-15-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,72)(H,62,69)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089411
(CHEMBL3577993)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)61-39(28-33-14-4-2-5-15-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-36-20-10-19-35-18-8-9-21-37(35)36/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089398
(CHEMBL3577981)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C50H64N12O9/c1-30-42(64)60-38(28-33-18-9-4-10-19-33)48(70)62-25-13-22-40(62)49(71)61-24-12-21-39(61)47(69)56-34(20-11-23-54-50(52)53)43(65)57-35(26-31-14-5-2-6-15-31)45(67)58-36(27-32-16-7-3-8-17-32)46(68)59-37(29-41(51)63)44(66)55-30/h2-10,14-19,30,34-40H,11-13,20-29H2,1H3,(H2,51,63)(H,55,66)(H,56,69)(H,57,65)(H,58,67)(H,59,68)(H,60,64)(H4,52,53,54)/t30-,34-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089413
(CHEMBL3577995)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C48H61N11O8/c1-30-41(61)57-37(28-33-18-9-4-10-19-33)46(66)59-25-13-22-39(59)47(67)58-24-12-21-38(58)45(65)54-34(20-11-23-51-48(49)50)43(63)56-36(27-32-16-7-3-8-17-32)44(64)55-35(26-31-14-5-2-6-15-31)42(62)52-29-40(60)53-30/h2-10,14-19,30,34-39H,11-13,20-29H2,1H3,(H,52,62)(H,53,60)(H,54,65)(H,55,64)(H,56,63)(H,57,61)(H4,49,50,51)/t30-,34-,35-,36-,37-,38-,39+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089422
(CHEMBL3577978)Show SMILES [H][C@]12CSSC[C@@]([H])(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C82H108N22O19S4/c1-43-68(111)95-55(33-46-15-7-4-8-16-46)73(116)103-63-41-126-125-40-62(77(120)94-54(22-14-32-90-82(87)88)69(112)96-56(34-47-17-9-5-10-18-47)71(114)97-57(35-48-19-11-6-12-20-48)72(115)100-60(38-65(83)109)70(113)91-43)102-75(118)59(37-50-25-29-52(108)30-26-50)99-79(122)64(104-80(123)66(44(2)105)92-45(3)106)42-127-124-39-61(76(119)93-53(67(84)110)21-13-31-89-81(85)86)101-74(117)58(98-78(63)121)36-49-23-27-51(107)28-24-49/h4-12,15-20,23-30,43-44,53-64,66,105,107-108H,13-14,21-22,31-42H2,1-3H3,(H2,83,109)(H2,84,110)(H,91,113)(H,92,106)(H,93,119)(H,94,120)(H,95,111)(H,96,112)(H,97,114)(H,98,121)(H,99,122)(H,100,115)(H,101,117)(H,102,118)(H,103,116)(H,104,123)(H4,85,86,89)(H4,87,88,90)/t43-,44+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64-,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089412
(CHEMBL3577994)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc1ccc3ccccc3c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-39(28-33-13-4-2-5-14-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-35-22-23-36-17-8-9-18-37(36)27-35/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089405
(CHEMBL3577987)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-40(30-35-22-23-36-17-8-9-18-37(36)27-35)50(72)62-39(28-33-13-4-2-5-14-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,72)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089402
(CHEMBL3577985)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C51H66N12O9/c1-31-43(65)61-39(29-34-18-9-4-10-19-34)49(71)63-27-13-22-41(63)50(72)62-26-12-21-40(62)48(70)58-35(20-11-25-55-51(53)54)44(66)57-36(24-23-32-14-5-2-6-15-32)45(67)59-37(28-33-16-7-3-8-17-33)47(69)60-38(30-42(52)64)46(68)56-31/h2-10,14-19,31,35-41H,11-13,20-30H2,1H3,(H2,52,64)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,61,65)(H4,53,54,55)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089417
(CHEMBL3577999)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C52H70N12O8/c1-33-44(65)62-41(32-36-20-9-4-10-21-36)50(71)64-29-15-25-43(64)51(72)63-28-14-24-42(63)49(70)59-38(23-13-27-56-52(54)55)46(67)60-40(31-35-18-7-3-8-19-35)48(69)61-39(30-34-16-5-2-6-17-34)47(68)58-37(45(66)57-33)22-11-12-26-53/h2-10,16-21,33,37-43H,11-15,22-32,53H2,1H3,(H,57,66)(H,58,68)(H,59,70)(H,60,67)(H,61,69)(H,62,65)(H4,54,55,56)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089415
(CHEMBL3577997)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C50H66N12O8/c1-31-42(63)60-39(30-34-18-9-4-10-19-34)48(69)62-27-13-22-41(62)49(70)61-26-12-21-40(61)47(68)57-35(20-11-25-54-50(52)53)44(65)58-38(29-33-16-7-3-8-17-33)46(67)59-37(28-32-14-5-2-6-15-32)45(66)56-36(23-24-51)43(64)55-31/h2-10,14-19,31,35-41H,11-13,20-30,51H2,1H3,(H,55,64)(H,56,66)(H,57,68)(H,58,65)(H,59,67)(H,60,63)(H4,52,53,54)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089414
(CHEMBL3577996)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C49H64N12O8/c1-30-41(62)58-37(28-33-18-9-4-10-19-33)47(68)61-25-13-22-40(61)48(69)60-24-12-21-39(60)46(67)55-34(20-11-23-53-49(51)52)42(63)56-35(26-31-14-5-2-6-15-31)43(64)57-36(27-32-16-7-3-8-17-32)44(65)59-38(29-50)45(66)54-30/h2-10,14-19,30,34-40H,11-13,20-29,50H2,1H3,(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,62)(H,59,65)(H4,51,52,53)/t30-,34-,35-,36-,37-,38?,39-,40+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089399
(CHEMBL3577982)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C56H68N12O9/c1-34-48(70)66-44(32-36-16-7-3-8-17-36)54(76)68-29-13-22-46(68)55(77)67-28-12-21-45(67)53(75)62-40(20-11-27-60-56(58)59)49(71)63-42(31-37-23-25-39(26-24-37)38-18-9-4-10-19-38)51(73)64-41(30-35-14-5-2-6-15-35)52(74)65-43(33-47(57)69)50(72)61-34/h2-10,14-19,23-26,34,40-46H,11-13,20-22,27-33H2,1H3,(H2,57,69)(H,61,72)(H,62,75)(H,63,71)(H,64,73)(H,65,74)(H,66,70)(H4,58,59,60)/t34-,40-,41-,42-,43-,44-,45-,46+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089424
(CHEMBL3577979)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C74H92N16O15/c1-42-62(94)82-52(22-13-33-78-74(76)77)65(97)84-55(37-46-18-9-5-10-19-46)69(101)85-56(38-47-20-11-6-12-21-47)70(102)86-57(41-61(75)93)68(100)81-43(2)63(95)83-53(36-45-16-7-4-8-17-45)66(98)80-44(3)64(96)88-58(40-49-27-31-51(92)32-28-49)72(104)90-35-15-24-60(90)73(105)89-34-14-23-59(89)71(103)87-54(67(99)79-42)39-48-25-29-50(91)30-26-48/h4-12,16-21,25-32,42-44,52-60,91-92H,13-15,22-24,33-41H2,1-3H3,(H2,75,93)(H,79,99)(H,80,98)(H,81,100)(H,82,94)(H,83,95)(H,84,97)(H,85,101)(H,86,102)(H,87,103)(H,88,96)(H4,76,77,78)/t42-,43-,44-,52-,53-,54-,55-,56-,57-,58-,59-,60+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089406
(CHEMBL3577988)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C56H68N12O9/c1-34-48(70)66-44(32-36-16-7-3-8-17-36)54(76)68-29-13-22-46(68)55(77)67-28-12-21-45(67)53(75)62-40(20-11-27-60-56(58)59)49(71)63-41(30-35-14-5-2-6-15-35)51(73)64-42(52(74)65-43(33-47(57)69)50(72)61-34)31-37-23-25-39(26-24-37)38-18-9-4-10-19-38/h2-10,14-19,23-26,34,40-46H,11-13,20-22,27-33H2,1H3,(H2,57,69)(H,61,72)(H,62,75)(H,63,71)(H,64,73)(H,65,74)(H,66,70)(H4,58,59,60)/t34-,40-,41-,42-,43-,44-,45-,46+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089416
(CHEMBL3577998)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C51H68N12O8/c1-32-43(64)61-40(31-35-19-9-4-10-20-35)49(70)63-28-14-24-42(63)50(71)62-27-13-23-41(62)48(69)58-37(22-12-26-55-51(53)54)45(66)59-39(30-34-17-7-3-8-18-34)47(68)60-38(29-33-15-5-2-6-16-33)46(67)57-36(21-11-25-52)44(65)56-32/h2-10,15-20,32,36-42H,11-14,21-31,52H2,1H3,(H,56,65)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,64)(H4,53,54,55)/t32-,36?,37-,38-,39-,40-,41-,42+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089421
(CHEMBL3577977)Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C84H114N22O21S2/c1-43-70(115)97-57(35-48-17-9-6-10-18-48)75(120)104-64(79(124)100-61(39-52-27-31-54(112)32-28-52)77(122)105-67(45(3)108)80(125)95-55(69(86)114)23-15-33-91-83(87)88)42-129-128-41-63(103-76(121)60(38-51-25-29-53(111)30-26-51)102-81(126)68(46(4)109)106-82(127)66(44(2)107)94-47(5)110)78(123)96-56(24-16-34-92-84(89)90)71(116)98-58(36-49-19-11-7-12-20-49)73(118)99-59(37-50-21-13-8-14-22-50)74(119)101-62(40-65(85)113)72(117)93-43/h6-14,17-22,25-32,43-46,55-64,66-68,107-109,111-112H,15-16,23-24,33-42H2,1-5H3,(H2,85,113)(H2,86,114)(H,93,117)(H,94,110)(H,95,125)(H,96,123)(H,97,115)(H,98,116)(H,99,118)(H,100,124)(H,101,119)(H,102,126)(H,103,121)(H,104,120)(H,105,122)(H,106,127)(H4,87,88,91)(H4,89,90,92)/t43-,44+,45+,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089418
(CHEMBL3578000)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C53H72N14O8/c1-33-44(68)65-41(32-36-20-9-4-10-21-36)50(74)67-29-15-25-43(67)51(75)66-28-14-24-42(66)49(73)62-38(23-13-27-59-53(56)57)46(70)63-40(31-35-18-7-3-8-19-35)48(72)64-39(30-34-16-5-2-6-17-34)47(71)61-37(45(69)60-33)22-11-12-26-58-52(54)55/h2-10,16-21,33,37-43H,11-15,22-32H2,1H3,(H,60,69)(H,61,71)(H,62,73)(H,63,70)(H,64,72)(H,65,68)(H4,54,55,58)(H4,56,57,59)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089420
(CHEMBL3577976)Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C82H110N22O19S2/c1-43(68(111)95-55(67(84)110)23-15-33-89-81(85)86)91-72(115)57(38-51-25-29-53(107)30-26-51)101-79(122)64-42-125-124-41-63(103-77(120)59(39-52-27-31-54(108)32-28-52)98-70(113)45(3)93-80(123)66(46(4)105)94-47(5)106)78(121)96-56(24-16-34-90-82(87)88)71(114)99-60(36-49-19-11-7-12-20-49)74(117)100-61(37-50-21-13-8-14-22-50)75(118)102-62(40-65(83)109)73(116)92-44(2)69(112)97-58(76(119)104-64)35-48-17-9-6-10-18-48/h6-14,17-22,25-32,43-46,55-64,66,105,107-108H,15-16,23-24,33-42H2,1-5H3,(H2,83,109)(H2,84,110)(H,91,115)(H,92,116)(H,93,123)(H,94,106)(H,95,111)(H,96,121)(H,97,112)(H,98,113)(H,99,114)(H,100,117)(H,101,122)(H,102,118)(H,103,120)(H,104,119)(H4,85,86,89)(H4,87,88,90)/t43-,44-,45-,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089398
(CHEMBL3577981)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C50H64N12O9/c1-30-42(64)60-38(28-33-18-9-4-10-19-33)48(70)62-25-13-22-40(62)49(71)61-24-12-21-39(61)47(69)56-34(20-11-23-54-50(52)53)43(65)57-35(26-31-14-5-2-6-15-31)45(67)58-36(27-32-16-7-3-8-17-32)46(68)59-37(29-41(51)63)44(66)55-30/h2-10,14-19,30,34-40H,11-13,20-29H2,1H3,(H2,51,63)(H,55,66)(H,56,69)(H,57,65)(H,58,67)(H,59,68)(H,60,64)(H4,52,53,54)/t30-,34-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089421
(CHEMBL3577977)Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C84H114N22O21S2/c1-43-70(115)97-57(35-48-17-9-6-10-18-48)75(120)104-64(79(124)100-61(39-52-27-31-54(112)32-28-52)77(122)105-67(45(3)108)80(125)95-55(69(86)114)23-15-33-91-83(87)88)42-129-128-41-63(103-76(121)60(38-51-25-29-53(111)30-26-51)102-81(126)68(46(4)109)106-82(127)66(44(2)107)94-47(5)110)78(123)96-56(24-16-34-92-84(89)90)71(116)98-58(36-49-19-11-7-12-20-49)73(118)99-59(37-50-21-13-8-14-22-50)74(119)101-62(40-65(85)113)72(117)93-43/h6-14,17-22,25-32,43-46,55-64,66-68,107-109,111-112H,15-16,23-24,33-42H2,1-5H3,(H2,85,113)(H2,86,114)(H,93,117)(H,94,110)(H,95,125)(H,96,123)(H,97,115)(H,98,116)(H,99,118)(H,100,124)(H,101,119)(H,102,126)(H,103,121)(H,104,120)(H,105,122)(H,106,127)(H4,87,88,91)(H4,89,90,92)/t43-,44+,45+,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089399
(CHEMBL3577982)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C56H68N12O9/c1-34-48(70)66-44(32-36-16-7-3-8-17-36)54(76)68-29-13-22-46(68)55(77)67-28-12-21-45(67)53(75)62-40(20-11-27-60-56(58)59)49(71)63-42(31-37-23-25-39(26-24-37)38-18-9-4-10-19-38)51(73)64-41(30-35-14-5-2-6-15-35)52(74)65-43(33-47(57)69)50(72)61-34/h2-10,14-19,23-26,34,40-46H,11-13,20-22,27-33H2,1H3,(H2,57,69)(H,61,72)(H,62,75)(H,63,71)(H,64,73)(H,65,74)(H,66,70)(H4,58,59,60)/t34-,40-,41-,42-,43-,44-,45-,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089422
(CHEMBL3577978)Show SMILES [H][C@]12CSSC[C@@]([H])(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C82H108N22O19S4/c1-43-68(111)95-55(33-46-15-7-4-8-16-46)73(116)103-63-41-126-125-40-62(77(120)94-54(22-14-32-90-82(87)88)69(112)96-56(34-47-17-9-5-10-18-47)71(114)97-57(35-48-19-11-6-12-20-48)72(115)100-60(38-65(83)109)70(113)91-43)102-75(118)59(37-50-25-29-52(108)30-26-50)99-79(122)64(104-80(123)66(44(2)105)92-45(3)106)42-127-124-39-61(76(119)93-53(67(84)110)21-13-31-89-81(85)86)101-74(117)58(98-78(63)121)36-49-23-27-51(107)28-24-49/h4-12,15-20,23-30,43-44,53-64,66,105,107-108H,13-14,21-22,31-42H2,1-3H3,(H2,83,109)(H2,84,110)(H,91,113)(H,92,106)(H,93,119)(H,94,120)(H,95,111)(H,96,112)(H,97,114)(H,98,121)(H,99,122)(H,100,115)(H,101,117)(H,102,118)(H,103,116)(H,104,123)(H4,85,86,89)(H4,87,88,90)/t43-,44+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089404
(CHEMBL3577986)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)62-40(30-36-20-10-19-35-18-8-9-21-37(35)36)50(72)61-39(28-33-14-4-2-5-15-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,72)(H,62,69)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089420
(CHEMBL3577976)Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C82H110N22O19S2/c1-43(68(111)95-55(67(84)110)23-15-33-89-81(85)86)91-72(115)57(38-51-25-29-53(107)30-26-51)101-79(122)64-42-125-124-41-63(103-77(120)59(39-52-27-31-54(108)32-28-52)98-70(113)45(3)93-80(123)66(46(4)105)94-47(5)106)78(121)96-56(24-16-34-90-82(87)88)71(114)99-60(36-49-19-11-7-12-20-49)74(117)100-61(37-50-21-13-8-14-22-50)75(118)102-62(40-65(83)109)73(116)92-44(2)69(112)97-58(76(119)104-64)35-48-17-9-6-10-18-48/h6-14,17-22,25-32,43-46,55-64,66,105,107-108H,15-16,23-24,33-42H2,1-5H3,(H2,83,109)(H2,84,110)(H,91,115)(H,92,116)(H,93,123)(H,94,106)(H,95,111)(H,96,121)(H,97,112)(H,98,113)(H,99,114)(H,100,117)(H,101,122)(H,102,118)(H,103,120)(H,104,119)(H4,85,86,89)(H4,87,88,90)/t43-,44-,45-,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089405
(CHEMBL3577987)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-40(30-35-22-23-36-17-8-9-18-37(36)27-35)50(72)62-39(28-33-13-4-2-5-14-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,72)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089408
(CHEMBL3577990)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1 |r| Show InChI InChI=1S/C49H62N12O9/c1-29-41(63)58-36(27-31-16-7-3-8-17-31)47(69)61-25-13-22-38(61)48(70)60-24-12-21-37(60)45(67)55-33(20-11-23-53-49(51)52)42(64)56-34(26-30-14-5-2-6-15-30)44(66)59-40(32-18-9-4-10-19-32)46(68)57-35(28-39(50)62)43(65)54-29/h2-10,14-19,29,33-38,40H,11-13,20-28H2,1H3,(H2,50,62)(H,54,65)(H,55,67)(H,56,64)(H,57,68)(H,58,63)(H,59,66)(H4,51,52,53)/t29-,33-,34-,35-,36-,37-,38+,40?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089424
(CHEMBL3577979)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C74H92N16O15/c1-42-62(94)82-52(22-13-33-78-74(76)77)65(97)84-55(37-46-18-9-5-10-19-46)69(101)85-56(38-47-20-11-6-12-21-47)70(102)86-57(41-61(75)93)68(100)81-43(2)63(95)83-53(36-45-16-7-4-8-17-45)66(98)80-44(3)64(96)88-58(40-49-27-31-51(92)32-28-49)72(104)90-35-15-24-60(90)73(105)89-34-14-23-59(89)71(103)87-54(67(99)79-42)39-48-25-29-50(91)30-26-48/h4-12,16-21,25-32,42-44,52-60,91-92H,13-15,22-24,33-41H2,1-3H3,(H2,75,93)(H,79,99)(H,80,98)(H,81,100)(H,82,94)(H,83,95)(H,84,97)(H,85,101)(H,86,102)(H,87,103)(H,88,96)(H4,76,77,78)/t42-,43-,44-,52-,53-,54-,55-,56-,57-,58-,59-,60+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089411
(CHEMBL3577993)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)61-39(28-33-14-4-2-5-15-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-36-20-10-19-35-18-8-9-21-37(35)36/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144869
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)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)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144869
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)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)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144877
(CHEMBL269274)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-NDP-MSH; ND = not determined |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144877
(CHEMBL269274)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144871
(CHEMBL428134)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.74 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144882
(CHEMBL266288)Show SMILES CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N4)NC3=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2)C(C)C)[C@@H](C)O Show InChI InChI=1S/C217H327N65O62S21/c1-102(2)74-131-174(304)238-88-162(295)275-167(110(14)285)208(338)242-108(12)170(300)244-130(64-73-345-17)182(312)262-141(84-160(223)293)210(340)280-70-33-47-154(280)205(335)272-151(202(332)265-143(89-283)193(323)246-126(46-32-69-236-217(230)231)183(313)279-169(112(16)287)213(343)344)98-353-363-358-347-92-145-195(325)241-109(13)172(302)278-168(111(15)286)209(339)274-153-100-355-365-362-352-96-149-198(328)254-132(75-103(3)4)175(305)237-87-161(294)243-127(58-61-157(220)290)180(310)249-128(59-62-158(221)291)184(314)277-166(106(9)10)212(342)282-72-35-49-156(282)206(336)273-152(203(333)270-150(201(331)263-142(85-164(298)299)211(341)281-71-34-48-155(281)204(334)271-145)97-348-357-356-346-91-121(219)173(303)276-165(105(7)8)207(337)251-125(45-31-68-235-216(228)229)179(309)255-133(76-104(5)6)186(316)260-139(82-118-86-232-101-239-118)192(322)250-129(60-63-163(296)297)181(311)264-144(90-284)194(324)269-149)99-354-364-360-350-93-146(196(326)247-123(43-29-66-233-214(224)225)176(306)245-122(177(307)253-131)42-27-28-65-218)266-190(320)137(80-116-50-54-119(288)55-51-116)258-199(329)148-95-351-361-359-349-94-147(267-191(321)138(259-200(153)330)81-117-52-56-120(289)57-53-117)197(327)248-124(44-30-67-234-215(226)227)178(308)256-135(78-114-38-23-19-24-39-114)187(317)257-136(79-115-40-25-20-26-41-115)188(318)261-140(83-159(222)292)185(315)240-107(11)171(301)252-134(189(319)268-148)77-113-36-21-18-22-37-113/h18-26,36-41,50-57,86,101-112,121-156,165-169,283-289H,27-35,42-49,58-85,87-100,218-219H2,1-17H3,(H2,220,290)(H2,221,291)(H2,222,292)(H2,223,293)(H,232,239)(H,237,305)(H,238,304)(H,240,315)(H,241,325)(H,242,338)(H,243,294)(H,244,300)(H,245,306)(H,246,323)(H,247,326)(H,248,327)(H,249,310)(H,250,322)(H,251,337)(H,252,301)(H,253,307)(H,254,328)(H,255,309)(H,256,308)(H,257,317)(H,258,329)(H,259,330)(H,260,316)(H,261,318)(H,262,312)(H,263,331)(H,264,311)(H,265,332)(H,266,320)(H,267,321)(H,268,319)(H,269,324)(H,270,333)(H,271,334)(H,272,335)(H,273,336)(H,274,339)(H,275,295)(H,276,303)(H,277,314)(H,278,302)(H,279,313)(H,296,297)(H,298,299)(H,343,344)(H4,224,225,233)(H4,226,227,234)(H4,228,229,235)(H4,230,231,236)/t107-,108-,109-,110+,111+,112+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,165-,166-,167-,168-,169-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50155865
(CHEMBL2373991 | CUDPUATUYCRFFNAFCYCRKL)Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)[C@@]1([H])[#6]-[#16]-[#16]-[#6][C@]([H])([#7]-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]2=O)[#6@@H](-[#6])-[#8])[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]1)-[#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])-[#6](-[#8])=O Show InChI InChI=1S/C116H166N30O29S4/c1-9-72-96(156)126-62(7)94(154)145-92(63(8)147)112(172)130-74(11-3)97(157)135-81(52-67-36-40-69(148)41-37-67)106(166)143-87-58-178-179-59-88(144-105(165)78(49-64-26-15-12-16-27-64)134-93(153)61(6)127-102(162)83(54-90(119)150)139-104(164)80(51-66-30-19-14-20-31-66)137-103(163)79(50-65-28-17-13-18-29-65)136-100(160)77(133-109(87)169)34-24-46-125-116(122)123)110(170)138-82(53-68-38-42-70(149)43-39-68)107(167)142-86(108(168)132-76(33-23-45-124-115(120)121)99(159)131-75(32-21-22-44-117)101(161)141-85(114(174)175)48-60(4)5)57-177-176-56-71(118)95(155)128-73(10-2)98(158)140-84(55-91(151)152)113(173)146-47-25-35-89(146)111(171)129-72/h12-20,26-31,36-43,60-63,71-89,92,147-149H,9-11,21-25,32-35,44-59,117-118H2,1-8H3,(H2,119,150)(H,126,156)(H,127,162)(H,128,155)(H,129,171)(H,130,172)(H,131,159)(H,132,168)(H,133,169)(H,134,153)(H,135,157)(H,136,160)(H,137,163)(H,138,170)(H,139,164)(H,140,158)(H,141,161)(H,142,167)(H,143,166)(H,144,165)(H,145,154)(H,151,152)(H,174,175)(H4,120,121,124)(H4,122,123,125)/t61-,62-,63-,71?,72?,73?,74?,75+,76+,77?,78+,79+,80-,81-,82+,83?,84?,85+,86+,87+,88-,89+,92+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor |
J Med Chem 47: 5662-73 (2004)
Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144871
(CHEMBL428134)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29.8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50089425
(CHEMBL3578004)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C48H63N13O10S2/c1-27-41(65)57-33(21-29-13-6-3-7-14-29)46(70)61-37(40(50)64)25-72-73-26-38(55-28(2)62)47(71)56-32(19-12-20-53-48(51)52)42(66)58-34(22-30-15-8-4-9-16-30)44(68)59-35(23-31-17-10-5-11-18-31)45(69)60-36(24-39(49)63)43(67)54-27/h3-11,13-18,27,32-38H,12,19-26H2,1-2H3,(H2,49,63)(H2,50,64)(H,54,67)(H,55,62)(H,56,71)(H,57,65)(H,58,66)(H,59,68)(H,60,69)(H,61,70)(H4,51,52,53)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of MTII from mouse MC3R expressed in HEK293 cells |
J Med Chem 58: 4638-47 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50155865
(CHEMBL2373991 | CUDPUATUYCRFFNAFCYCRKL)Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)[C@@]1([H])[#6]-[#16]-[#16]-[#6][C@]([H])([#7]-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]2=O)[#6@@H](-[#6])-[#8])[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]1)-[#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])-[#6](-[#8])=O Show InChI InChI=1S/C116H166N30O29S4/c1-9-72-96(156)126-62(7)94(154)145-92(63(8)147)112(172)130-74(11-3)97(157)135-81(52-67-36-40-69(148)41-37-67)106(166)143-87-58-178-179-59-88(144-105(165)78(49-64-26-15-12-16-27-64)134-93(153)61(6)127-102(162)83(54-90(119)150)139-104(164)80(51-66-30-19-14-20-31-66)137-103(163)79(50-65-28-17-13-18-29-65)136-100(160)77(133-109(87)169)34-24-46-125-116(122)123)110(170)138-82(53-68-38-42-70(149)43-39-68)107(167)142-86(108(168)132-76(33-23-45-124-115(120)121)99(159)131-75(32-21-22-44-117)101(161)141-85(114(174)175)48-60(4)5)57-177-176-56-71(118)95(155)128-73(10-2)98(158)140-84(55-91(151)152)113(173)146-47-25-35-89(146)111(171)129-72/h12-20,26-31,36-43,60-63,71-89,92,147-149H,9-11,21-25,32-35,44-59,117-118H2,1-8H3,(H2,119,150)(H,126,156)(H,127,162)(H,128,155)(H,129,171)(H,130,172)(H,131,159)(H,132,168)(H,133,169)(H,134,153)(H,135,157)(H,136,160)(H,137,163)(H,138,170)(H,139,164)(H,140,158)(H,141,161)(H,142,167)(H,143,166)(H,144,165)(H,145,154)(H,151,152)(H,174,175)(H4,120,121,124)(H4,122,123,125)/t61-,62-,63-,71?,72?,73?,74?,75+,76+,77?,78+,79+,80-,81-,82+,83?,84?,85+,86+,87+,88-,89+,92+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 3 Receptor |
J Med Chem 47: 5662-73 (2004)
Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50410195
(CHEMBL2096710)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C64H79N15O13S2/c1-36-55(84)74-47(30-37-12-5-2-6-13-37)61(90)79-52(63(92)73-46(54(67)83)29-41-21-25-43(81)26-22-41)35-94-93-34-51(78-56(85)44(65)28-40-19-23-42(80)24-20-40)62(91)72-45(18-11-27-70-64(68)69)57(86)75-48(31-38-14-7-3-8-15-38)59(88)76-49(32-39-16-9-4-10-17-39)60(89)77-50(33-53(66)82)58(87)71-36/h2-10,12-17,19-26,36,44-52,80-81H,11,18,27-35,65H2,1H3,(H2,66,82)(H2,67,83)(H,71,87)(H,72,91)(H,73,92)(H,74,84)(H,75,86)(H,76,88)(H,77,89)(H,78,85)(H,79,90)(H4,68,69,70)/t36-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor |
J Med Chem 47: 5662-73 (2004)
Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144880
(CHEMBL406032 | Tyr-c[Asp-His-Phe-Arg-Trp-Asn-Ala-P...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)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)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51-,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144880
(CHEMBL406032 | Tyr-c[Asp-His-Phe-Arg-Trp-Asn-Ala-P...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)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)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51-,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144879
(CHEMBL406550 | Tyr-c[Asp-DPhe-Arg-Trp-Asn-Ala-Phe-...)Show SMILES C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NN Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48+,49-,50+,51-,52-,57?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Search and Browse
