Found 892 hits with Last Name = 'peng' and Initial = 'q' 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 |
|---|
Translocator protein
(Homo sapiens (Human)) | BDBM50605928
(CHEMBL5195160)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50605927
(CHEMBL5172913)Show SMILES CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 271 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50605954
(CHEMBL5194692)Show SMILES CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50605927
(CHEMBL5172913)Show SMILES CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50605927
(CHEMBL5172913)Show SMILES CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00100
BindingDB Entry DOI: 10.7270/Q25B06KQ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329956
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C35H44ClF2N5O/c1-21-14-24-27(16-29(21)36)35(17-28(24)34(5,6)32-39-20-40-41(32)7)10-12-42(13-11-35)31(44)26-19-43(33(2,3)4)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,20,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329959
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1 |r| Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50373479
(CHEMBL254757)Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C Show InChI InChI=1S/C31H40Cl3N3O2/c1-6-29(35-19(2)38)25-15-21(32)7-9-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-10-8-22(33)16-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to rat MC4R |
Bioorg Med Chem Lett 18: 3242-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348579
(CHEMBL1801215)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348554
(CHEMBL1801095)Show SMILES CN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(43)39(7)8)11-13-40(14-12-35)31(42)26-20-41(33(2,3)4)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,11-14,18-20H2,1-8H3/t25-,26+,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50340458
(CHEMBL1762009 | Cis-(3S,5R)-N-((R)-1-(4-(tert-buty...)Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H50ClN5O3/c1-22-20-38(21-23(2)34-22)30(41)35-27(19-24-11-13-26(33)14-12-24)28(39)37-17-15-32(16-18-37,25-9-7-6-8-10-25)29(40)36-31(3,4)5/h11-14,22-23,25,27,34H,6-10,15-21H2,1-5H3,(H,35,41)(H,36,40)/t22-,23+,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2330-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.090
BindingDB Entry DOI: 10.7270/Q22R3S0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329958
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H44ClF2N5O2/c1-22-15-26-29(17-31(22)37)36(18-30(26)35(2,3)34-40-21-41-42(34)4)9-11-43(12-10-36)33(45)28-20-44(24-7-13-46-14-8-24)19-27(28)25-6-5-23(38)16-32(25)39/h5-6,15-17,21,24,27-28,30H,7-14,18-20H2,1-4H3/t27-,28+,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348574
(CHEMBL1801146)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-15-46-16-14-42)9-11-41(12-10-37)33(44)28-22-43(35(2,3)4)21-27(28)25-8-7-24(39)18-32(25)40/h7-8,17-19,27-28,30H,9-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348580
(CHEMBL1801216)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323446
(2-((S)-1'-((3S,4R)-1-tert-butyl-4-(2,4-difluorophe...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C32H38ClF2N3O2/c1-19-13-22-25(15-26(19)33)32(40-28(22)31(5,6)18-36)9-11-37(12-10-32)29(39)24-17-38(30(2,3)4)16-23(24)21-8-7-20(34)14-27(21)35/h7-8,13-15,23-24,28H,9-12,16-17H2,1-6H3/t23-,24+,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50373474
(CHEMBL402769)Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(cc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C32H41ClF3N3O2/c1-6-29(37-20(2)40)26-17-24(33)11-12-25(26)22-13-15-38(16-14-22)30(41)28-19-39(31(3,4)5)18-27(28)21-7-9-23(10-8-21)32(34,35)36/h7-12,17,22,27-29H,6,13-16,18-19H2,1-5H3,(H,37,40)/t27-,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to rat MC4R |
Bioorg Med Chem Lett 18: 3242-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323456
((S)-(6-chloro-5-methyl-3-(2-morpholinopropan-2-yl)...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CCOCC1 |r| Show InChI InChI=1S/C36H46ClF2N3O4/c1-23-18-27-30(20-31(23)37)36(46-33(27)35(2,3)42-12-16-45-17-13-42)8-10-40(11-9-36)34(43)29-22-41(25-6-14-44-15-7-25)21-28(29)26-5-4-24(38)19-32(26)39/h4-5,18-20,25,28-29,33H,6-17,21-22H2,1-3H3/t28-,29+,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348572
(CHEMBL1801144)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC1 |r| Show InChI InChI=1S/C36H46ClF2N3O2/c1-22-16-25-28(18-30(22)37)36(19-29(25)35(5,6)33(44)41-12-7-13-41)10-14-40(15-11-36)32(43)27-21-42(34(2,3)4)20-26(27)24-9-8-23(38)17-31(24)39/h8-9,16-18,26-27,29H,7,10-15,19-21H2,1-6H3/t26-,27+,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348581
(CHEMBL1801217)Show SMILES CO[C@@H]1CCN(C1)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-16-27-30(18-32(23)39)38(19-31(27)37(5,6)35(46)43-13-10-25(20-43)47-7)11-14-42(15-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-9-8-24(40)17-33(26)41/h8-9,16-18,25,28-29,31H,10-15,19-22H2,1-7H3/t25-,28+,29-,31+/m1/s1 | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348578
(CHEMBL1801150)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](F)C1 |r| Show InChI InChI=1S/C37H47ClF3N3O2/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)43-12-9-24(40)19-43)10-13-42(14-11-37)33(45)28-21-44(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)41/h7-8,15-17,24,27-28,30H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323458
((S)-(6-chloro-3-(2-((S)-3-hydroxypyrrolidin-1-yl)p...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C36H46ClF2N3O4/c1-22-16-27-30(18-31(22)37)36(46-33(27)35(2,3)42-11-6-25(43)19-42)9-12-40(13-10-36)34(44)29-21-41(24-7-14-45-15-8-24)20-28(29)26-5-4-23(38)17-32(26)39/h4-5,16-18,24-25,28-29,33,43H,6-15,19-21H2,1-3H3/t25-,28-,29+,33-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50373476
(CHEMBL255286)Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Br)cc1F)C(C)(C)C Show InChI InChI=1S/C31H40BrClFN3O2/c1-6-29(35-19(2)38)25-16-22(33)8-10-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-9-7-21(32)15-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29+/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to rat MC4R |
Bioorg Med Chem Lett 18: 3242-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323457
((S)-(6-chloro-5-methyl-3-(2-(pyrrolidin-1-yl)propa...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CCCC1 |r| Show InChI InChI=1S/C36H46ClF2N3O3/c1-23-18-27-30(20-31(23)37)36(45-33(27)35(2,3)42-12-4-5-13-42)10-14-40(15-11-36)34(43)29-22-41(25-8-16-44-17-9-25)21-28(29)26-7-6-24(38)19-32(26)39/h6-7,18-20,25,28-29,33H,4-5,8-17,21-22H2,1-3H3/t28-,29+,33-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348575
(CHEMBL1801147)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CO2 |r| Show InChI InChI=1S/C38H48ClF2N3O3/c1-22-13-27-30(16-32(22)39)38(17-31(27)37(5,6)35(46)44-18-25-15-24(44)21-47-25)9-11-42(12-10-38)34(45)29-20-43(36(2,3)4)19-28(29)26-8-7-23(40)14-33(26)41/h7-8,13-14,16,24-25,28-29,31H,9-12,15,17-21H2,1-6H3/t24-,25-,28-,29+,31-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348577
(CHEMBL1801149)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C37H47ClF3N3O2/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)43-12-9-24(40)19-43)10-13-42(14-11-37)33(45)28-21-44(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)41/h7-8,15-17,24,27-28,30H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50373472
(CHEMBL429854)Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Br)cc1F)C(C)(C)C Show InChI InChI=1S/C31H40BrClFN3O2/c1-6-29(35-19(2)38)25-16-22(33)8-10-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-9-7-21(32)15-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29-/m0/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to rat MC4R |
Bioorg Med Chem Lett 18: 3242-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329957
(((3R,4R)-1-tert-butyl-3-(2,4-difluorophenyl)piperi...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CCN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H46ClF2N5O/c1-22-16-26-28(18-30(22)37)36(19-29(26)35(5,6)33-40-21-41-42(33)7)11-14-43(15-12-36)32(45)25-10-13-44(34(2,3)4)20-27(25)24-9-8-23(38)17-31(24)39/h8-9,16-18,21,25,27,29H,10-15,19-20H2,1-7H3/t25-,27+,29+/m1/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348576
(CHEMBL1801148)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C37H48ClF2N3O2/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-7-8-14-42)11-15-41(16-12-37)33(44)28-22-43(35(2,3)4)21-27(28)25-10-9-24(39)18-32(25)40/h9-10,17-19,27-28,30H,7-8,11-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348573
(CHEMBL1801145)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC(F)(F)C1 |r| Show InChI InChI=1S/C36H44ClF4N3O2/c1-21-13-24-27(15-29(21)37)35(16-28(24)34(5,6)32(46)43-19-36(40,41)20-43)9-11-42(12-10-35)31(45)26-18-44(33(2,3)4)17-25(26)23-8-7-22(38)14-30(23)39/h7-8,13-15,25-26,28H,9-12,16-20H2,1-6H3/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329961
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1nnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-40-39-21(2)44-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323441
(2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C33H38ClF2N3O3/c1-20-14-24-27(16-28(20)34)33(42-30(24)32(2,3)19-37)8-10-38(11-9-33)31(40)26-18-39(22-6-12-41-13-7-22)17-25(26)23-5-4-21(35)15-29(23)36/h4-5,14-16,22,25-26,30H,6-13,17-18H2,1-3H3/t25-,26+,30-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348584
(CHEMBL1801214)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C37H46ClF4N3O2/c1-22-15-25-28(17-30(22)38)36(18-29(25)35(5,6)33(47)44-14-11-37(41,42)21-44)9-12-43(13-10-36)32(46)27-20-45(34(2,3)4)19-26(27)24-8-7-23(39)16-31(24)40/h7-8,15-17,26-27,29H,9-14,18-21H2,1-6H3/t26-,27+,29-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348585
(CHEMBL1801142)Show SMILES CCN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C36H48ClF2N3O2/c1-9-40(8)33(44)35(6,7)29-19-36(28-18-30(37)22(2)16-25(28)29)12-14-41(15-13-36)32(43)27-21-42(34(3,4)5)20-26(27)24-11-10-23(38)17-31(24)39/h10-11,16-18,26-27,29H,9,12-15,19-21H2,1-8H3/t26-,27+,29-/m0/s1 | PDB
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| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348560
(CHEMBL1801118)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NC1CC1 |r| Show InChI InChI=1S/C36H46ClF2N3O2/c1-21-15-25-28(17-30(21)37)36(18-29(25)35(5,6)33(44)40-23-8-9-23)11-13-41(14-12-36)32(43)27-20-42(34(2,3)4)19-26(27)24-10-7-22(38)16-31(24)39/h7,10,15-17,23,26-27,29H,8-9,11-14,18-20H2,1-6H3,(H,40,44)/t26-,27+,29-/m0/s1 | PDB
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PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348582
(CHEMBL1801218)Show SMILES CO[C@H]1CCN(C1)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-16-27-30(18-32(23)39)38(19-31(27)37(5,6)35(46)43-13-10-25(20-43)47-7)11-14-42(15-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-9-8-24(40)17-33(26)41/h8-9,16-18,25,28-29,31H,10-15,19-22H2,1-7H3/t25-,28-,29+,31-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323455
((S)-(6-chloro-3-(2-(ethylamino)propan-2-yl)-5-meth...)Show SMILES CCNC(C)(C)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O3/c1-5-38-33(3,4)31-25-16-21(2)29(35)18-28(25)34(43-31)10-12-39(13-11-34)32(41)27-20-40(23-8-14-42-15-9-23)19-26(27)24-7-6-22(36)17-30(24)37/h6-7,16-18,23,26-27,31,38H,5,8-15,19-20H2,1-4H3/t26-,27+,31-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323453
((S)-(6-chloro-3-(2-(dimethylamino)propan-2-yl)-5-m...)Show SMILES CN(C)C(C)(C)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O3/c1-21-16-25-28(18-29(21)35)34(43-31(25)33(2,3)38(4)5)10-12-39(13-11-34)32(41)27-20-40(23-8-14-42-15-9-23)19-26(27)24-7-6-22(36)17-30(24)37/h6-7,16-18,23,26-27,31H,8-15,19-20H2,1-5H3/t26-,27+,31-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323459
((S)-(6-chloro-3-(2-(3,3-difluoropyrrolidin-1-yl)pr...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C36H44ClF4N3O3/c1-22-16-26-29(18-30(22)37)35(47-32(26)34(2,3)44-13-10-36(40,41)21-44)8-11-42(12-9-35)33(45)28-20-43(24-6-14-46-15-7-24)19-27(28)25-5-4-23(38)17-31(25)39/h4-5,16-18,24,27-28,32H,6-15,19-21H2,1-3H3/t27-,28+,32-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(RAT) | BDBM50314969
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25) | KEGG
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from rat BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 2074-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348553
(CHEMBL1801093)Show SMILES CN(C(C)=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-25-28(17-30(21)36)35(18-29(25)34(6,7)39(8)22(2)42)11-13-40(14-12-35)32(43)27-20-41(33(3,4)5)19-26(27)24-10-9-23(37)16-31(24)38/h9-10,15-17,26-27,29H,11-14,18-20H2,1-8H3/t26-,27+,29-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348569
(CHEMBL1801127)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NC1CCOCC1 |r| Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-17-27-30(19-32(23)39)38(20-31(27)37(5,6)35(46)42-25-9-15-47-16-10-25)11-13-43(14-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-8-7-24(40)18-33(26)41/h7-8,17-19,25,28-29,31H,9-16,20-22H2,1-6H3,(H,42,46)/t28-,29+,31-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348571
(CHEMBL1801143)Show SMILES CCN(CC)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C37H50ClF2N3O2/c1-9-41(10-2)34(45)36(7,8)30-20-37(29-19-31(38)23(3)17-26(29)30)13-15-42(16-14-37)33(44)28-22-43(35(4,5)6)21-27(28)25-12-11-24(39)18-32(25)40/h11-12,17-19,27-28,30H,9-10,13-16,20-22H2,1-8H3/t27-,28+,30-/m0/s1 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348568
(CHEMBL1801126)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NCCO |r| Show InChI InChI=1S/C35H46ClF2N3O3/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(44)39-11-14-42)9-12-40(13-10-35)31(43)26-20-41(33(2,3)4)19-25(26)23-8-7-22(37)16-30(23)38/h7-8,15-17,25-26,28,42H,9-14,18-20H2,1-6H3,(H,39,44)/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348556
(CHEMBL1801097)Show SMILES CNC(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-23-26(16-28(20)35)34(17-27(23)33(5,6)31(42)38-7)10-12-39(13-11-34)30(41)25-19-40(32(2,3)4)18-24(25)22-9-8-21(36)15-29(22)37/h8-9,14-16,24-25,27H,10-13,17-19H2,1-7H3,(H,38,42)/t24-,25+,27-/m0/s1 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348565
(CHEMBL1801123)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NCCF |r| Show InChI InChI=1S/C35H45ClF3N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(44)40-12-11-37)9-13-41(14-10-35)31(43)26-20-42(33(2,3)4)19-25(26)23-8-7-22(38)16-30(23)39/h7-8,15-17,25-26,28H,9-14,18-20H2,1-6H3,(H,40,44)/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50323440
(2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...)Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)CO)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C32H38ClF2N3O3/c1-19-12-22-25(14-26(19)33)32(41-28(22)30(2,3)17-36)8-10-37(11-9-32)29(40)24-16-38(31(4,5)18-39)15-23(24)21-7-6-20(34)13-27(21)35/h6-7,12-14,23-24,28,39H,8-11,15-16,18H2,1-5H3/t23-,24+,28-/m0/s1 | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 4895-900 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50483878
(CHEMBL1773312)Show InChI InChI=1S/C17H14FN3O2/c18-12-3-1-11(2-4-12)10-20-7-5-13-14-6-8-21(23)17(22)16(14)19-9-15(13)20/h1-5,7,9,23H,6,8,10H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 integrase strand transfer activity by scintillation proximity assay |
J Med Chem 54: 3393-417 (2011)
Article DOI: 10.1021/jm200208d
BindingDB Entry DOI: 10.7270/Q2514236 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50164772
((2S,5S)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)Show SMILES CC[C@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27+,28-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM |
Bioorg Med Chem Lett 15: 1993-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50164760
((2S,5S)-5-Ethyl-piperazine-2-carboxylic acid [(R)-...)Show SMILES CC[C@H]1CN[C@@H](CN1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H50FN5O3/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41)/t25-,26+,27-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM |
Bioorg Med Chem Lett 15: 1993-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50348558
(CHEMBL1801116)Show SMILES CCNC(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H46ClF2N3O2/c1-8-39-32(43)34(6,7)28-18-35(27-17-29(36)21(2)15-24(27)28)11-13-40(14-12-35)31(42)26-20-41(33(3,4)5)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,8,11-14,18-20H2,1-7H3,(H,39,43)/t25-,26+,28-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 4399-405 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07 |
More data for this
Ligand-Target Pair | |
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