Found 4 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50357057
(CHEMBL1917057)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCCN=[N+]=[N-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:11.19,7.7,22.30,wD:43.44,(11.15,3.64,;12.48,2.87,;13.82,3.65,;12.48,1.33,;11.14,.56,;11.14,-.98,;9.81,-1.75,;9.81,-3.29,;8.47,-4.06,;7.13,-3.29,;7.13,-1.75,;5.8,-4.06,;5.8,-5.6,;7.13,-6.37,;8.46,-5.61,;9.8,-6.38,;9.8,-7.92,;8.46,-8.69,;7.13,-7.92,;4.47,-3.29,;3.13,-4.05,;3.13,-5.6,;1.79,-3.29,;1.79,-1.75,;3.13,-.97,;4.54,-1.6,;5.58,-.46,;4.8,.88,;3.29,.56,;.46,-4.05,;-.85,-3.25,;-.81,-1.72,;-2.2,-3.99,;-3.51,-3.18,;-4.86,-3.92,;-6.17,-3.12,;-7.52,-3.85,;-8.83,-3.05,;-10.2,-3.74,;-11.59,-4.42,;11.14,-4.06,;11.14,-5.6,;12.47,-3.3,;13.81,-4.07,;13.81,-5.61,;15.14,-6.38,;16.55,-5.75,;17.58,-6.9,;16.81,-8.24,;17.28,-9.71,;16.25,-10.85,;14.74,-10.53,;14.27,-9.06,;15.3,-7.92,;15.14,-3.29,;16.48,-4.07,;15.14,-1.76,)| Show InChI InChI=1S/C38H50N14O5/c39-34(54)30(19-25-21-45-28-13-7-6-12-27(25)28)50-35(55)29(14-9-16-44-38(40)41)49-36(56)31(18-24-10-3-1-4-11-24)51-37(57)32(20-26-22-43-23-46-26)48-33(53)15-5-2-8-17-47-52-42/h1,3-4,6-7,10-13,21-23,29-32,45H,2,5,8-9,14-20H2,(H2,39,54)(H,43,46)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,40,41,44)/t29-,30-,31+,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTAP-NDP-alpha-MSH-NH2 from MC4 receptor expressed in human HEK293 cells after 1 hr by time resolved fluorescence method |
Bioorg Med Chem 19: 6474-82 (2011)
Article DOI: 10.1016/j.bmc.2011.08.053
BindingDB Entry DOI: 10.7270/Q2PZ5977 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50357058
(CHEMBL1917059)Show SMILES CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r,wU:36.37,15.14,25.25,wD:47.48,(-11.47,-21.37,;-10.69,-20.03,;-9.15,-20.02,;-8.39,-18.69,;-6.85,-18.68,;-5.81,-19.81,;-4.41,-19.17,;-3.07,-19.92,;-1.74,-19.14,;-.4,-19.9,;.93,-19.11,;2.27,-19.87,;3.59,-19.08,;3.58,-17.54,;4.94,-19.84,;6.27,-19.07,;6.27,-17.53,;7.61,-16.75,;9.01,-17.39,;10.05,-16.07,;9.28,-14.91,;7.77,-15.22,;7.61,-19.84,;7.61,-21.38,;8.94,-19.07,;10.27,-19.84,;10.27,-21.38,;11.61,-22.15,;12.94,-21.39,;14.27,-22.16,;14.27,-23.7,;12.93,-24.47,;11.6,-23.7,;11.61,-19.07,;11.61,-17.54,;12.94,-19.84,;14.27,-19.08,;14.27,-17.54,;15.61,-16.77,;15.61,-15.23,;16.94,-14.46,;16.94,-12.92,;15.62,-12.15,;18.28,-12.15,;15.61,-19.85,;15.61,-21.39,;16.94,-19.08,;18.28,-19.85,;18.28,-21.39,;19.61,-22.16,;21.01,-21.54,;22.04,-22.69,;21.27,-24.02,;21.75,-25.48,;20.71,-26.63,;19.21,-26.31,;18.73,-24.84,;19.77,-23.7,;19.61,-19.08,;20.95,-19.85,;19.61,-17.54,;-4.59,-17.64,;-6.1,-17.33,)| Show InChI InChI=1S/C44H60N14O5/c1-2-3-15-31-27-58(57-56-31)21-11-5-8-19-39(59)52-38(24-32-26-48-28-51-32)43(63)55-37(22-29-13-6-4-7-14-29)42(62)53-35(18-12-20-49-44(46)47)41(61)54-36(40(45)60)23-30-25-50-34-17-10-9-16-33(30)34/h4,6-7,9-10,13-14,16-17,25-28,35-38,50H,2-3,5,8,11-12,15,18-24H2,1H3,(H2,45,60)(H,48,51)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,46,47,49)/t35-,36-,37+,38-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTAP-NDP-alpha-MSH-NH2 from MC4 receptor expressed in human HEK293 cells after 1 hr by time resolved fluorescence method |
Bioorg Med Chem 19: 6474-82 (2011)
Article DOI: 10.1016/j.bmc.2011.08.053
BindingDB Entry DOI: 10.7270/Q2PZ5977 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50357059
(CHEMBL1917058)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCN=[N+]=[N-])C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C35H45N9O7S/c1-52-17-15-26(33(49)43-29(20-31(46)47)35(51)42-27(32(36)48)18-22-10-4-2-5-11-22)41-34(50)28(40-30(45)14-6-3-9-16-39-44-37)19-23-21-38-25-13-8-7-12-24(23)25/h2,4-5,7-8,10-13,21,26-29,38H,3,6,9,14-20H2,1H3,(H2,36,48)(H,40,45)(H,41,50)(H,42,51)(H,43,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTAP-CCK8-NH2 from CCK2 receptor expressed in human HEK293 cells after 1 hr by time resolved fluorescence method |
Bioorg Med Chem 19: 6474-82 (2011)
Article DOI: 10.1016/j.bmc.2011.08.053
BindingDB Entry DOI: 10.7270/Q2PZ5977 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50357060
(CHEMBL1917060)Show SMILES CCCCc1cn(CCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nn1 |r| Show InChI InChI=1S/C41H55N9O7S/c1-3-4-15-29-26-50(49-48-29)20-12-6-9-18-36(51)44-34(23-28-25-43-31-17-11-10-16-30(28)31)40(56)45-32(19-21-58-2)39(55)47-35(24-37(52)53)41(57)46-33(38(42)54)22-27-13-7-5-8-14-27/h5,7-8,10-11,13-14,16-17,25-26,32-35,43H,3-4,6,9,12,15,18-24H2,1-2H3,(H2,42,54)(H,44,51)(H,45,56)(H,46,57)(H,47,55)(H,52,53)/t32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTAP-CCK8-NH2 from CCK2 receptor expressed in human HEK293 cells after 1 hr by time resolved fluorescence method |
Bioorg Med Chem 19: 6474-82 (2011)
Article DOI: 10.1016/j.bmc.2011.08.053
BindingDB Entry DOI: 10.7270/Q2PZ5977 |
More data for this
Ligand-Target Pair | |
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