Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50121892' 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)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
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