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44 molecules are shown

Compile data set for download or QSAR
Wt: 720.8
BDBM50014096
Wt: 781.9
BDBM50451762
Wt: 781.9
BDBM50124767
Wt: 766.9
BDBM50013635
Wt: 683.8
BDBM50031425
Wt: 1298.5
BDBM50074645
Wt: 735.8
BDBM50115362
Wt: 735.8
BDBM50115370
Wt: 735.8
BDBM50115374
Wt: 735.8
BDBM50115376
Wt: 1039.2
BDBM50117488
Wt: 570.6
BDBM50122068
Wt: 646.7
BDBM50122069
Wt: 722.8
BDBM50122070
Wt: 636.7
BDBM50122071
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50014096,50451762,50124767,50013635,50031425,50074645,50115362,50115370,50115374,50115376,50117488,50122068,50122069,50122070,50122071   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451762
PNG
(CHEMBL2112920)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Cyclin-A2


(Homo sapiens (Human))
BDBM50117488
PNG
(CHEMBL217362 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-Phe-N...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H82N18O8/c1-6-28(4)38(46(74)64-36(39(51)67)23-30-14-8-7-9-15-30)66-45(73)37(22-27(2)3)65-44(72)35(18-13-21-58-48(54)55)63-43(71)34(17-12-20-57-47(52)53)62-42(70)33(16-10-11-19-49)61-40(68)29(5)60-41(69)32(50)24-31-25-56-26-59-31/h7-9,14-15,25-29,32-38H,6,10-13,16-24,49-50H2,1-5H3,(H2,51,67)(H,56,59)(H,60,69)(H,61,68)(H,62,70)(H,63,71)(H,64,74)(H,65,72)(H,66,73)(H4,52,53,57)(H4,54,55,58)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Binding affinity to Cyclin A by competitive binding assay


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124767
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451762
PNG
(CHEMBL2112920)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
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