Found 1193 hits with Last Name = 'kamau' and Initial = 'm' 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383116
(CHEMBL2031736)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26ClN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50351324
(CHEMBL1818901)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22| Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383114
(CHEMBL2031734)Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C Show InChI InChI=1S/C29H29N3O2/c1-20-27(14-11-25-17-21(18-30-28(20)25)19-32-15-3-4-16-32)31-29(33)24-7-5-22(6-8-24)23-9-12-26(34-2)13-10-23/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33) | Reactome pathway
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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383112
(CHEMBL2029372)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383112
(CHEMBL2029372)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50337332
(2-(4-chlorophenyl)-1-(4-(4-(5-methyl-1H-pyrazol-3-...)Show SMILES Cc1cc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)Cc2ccc(Cl)cc2)[nH]n1 Show InChI InChI=1S/C22H23ClN8O/c1-15-13-19(27-26-15)24-21-18-3-2-8-31(18)28-22(25-21)30-11-9-29(10-12-30)20(32)14-16-4-6-17(23)7-5-16/h2-8,13H,9-12,14H2,1H3,(H2,24,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 mins |
Bioorg Med Chem Lett 21: 1425-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383096
(CHEMBL2031716)Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1 Show InChI InChI=1S/C27H24ClN3O/c28-24-10-7-21(8-11-24)20-3-5-22(6-4-20)27(32)30-25-12-9-23-15-19(17-29-26(23)16-25)18-31-13-1-2-14-31/h3-12,15-17H,1-2,13-14,18H2,(H,30,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383091
(CHEMBL2031573)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)ccc2c1 Show InChI InChI=1S/C28H25FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h3-14,17-18H,1-2,15-16,19H2,(H,30,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50337333
(2-(4-fluorophenyl)-1-(4-(4-(5-methyl-1H-pyrazol-3-...)Show SMILES Cc1cc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)Cc2ccc(F)cc2)[nH]n1 Show InChI InChI=1S/C22H23FN8O/c1-15-13-19(27-26-15)24-21-18-3-2-8-31(18)28-22(25-21)30-11-9-29(10-12-30)20(32)14-16-4-6-17(23)7-5-16/h2-8,13H,9-12,14H2,1H3,(H2,24,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 mins |
Bioorg Med Chem Lett 21: 1425-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383092
(CHEMBL2031574)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)COc2c1 |t:22| Show InChI InChI=1S/C27H25FN2O2/c28-24-10-7-21(8-11-24)20-3-5-22(6-4-20)27(31)29-25-12-9-23-15-19(18-32-26(23)16-25)17-30-13-1-2-14-30/h3-12,15-16H,1-2,13-14,17-18H2,(H,29,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383107
(CHEMBL2031727)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1F Show InChI InChI=1S/C27H23F2N3O/c28-23-10-7-20(8-11-23)19-3-5-21(6-4-19)27(33)31-24-12-9-22-15-18(16-30-26(22)25(24)29)17-32-13-1-2-14-32/h3-12,15-16H,1-2,13-14,17H2,(H,31,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50357496
(CHEMBL1914623)Show SMILES CN1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H33ClN2O/c1-28-15-10-21-4-5-24(19-23(21)11-16-28)26(30)3-2-14-29-17-12-22(13-18-29)20-6-8-25(27)9-7-20/h4-9,19,22H,2-3,10-18H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells |
Bioorg Med Chem 19: 6261-73 (2011)
Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50392514
(CHEMBL2152167)Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C27H23ClF7N3O2/c28-18-6-7-22(36-15-18)26(13-16-4-2-1-3-5-16,38-24(39)37-20-8-9-25(32,33)14-20)17-10-19(29)12-21(11-17)40-27(34,35)23(30)31/h1-7,10-12,15,20,23H,8-9,13-14H2,(H2,37,38,39)/t20-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay |
Bioorg Med Chem Lett 22: 6503-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.011
BindingDB Entry DOI: 10.7270/Q2XP761G |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50516404
(CHEMBL4439823)Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C30H25F12NO5/c1-15(2)47-22-12-17(8-9-21(22)32)26(14-16-6-4-3-5-7-16,18-10-19(31)13-20(11-18)48-28(35,36)25(33)34)43-24(45)23(44)27(46,29(37,38)39)30(40,41)42/h3-13,15,23,25,44,46H,14H2,1-2H3,(H,43,45)/t23?,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay |
ACS Med Chem Lett 10: 911-916 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50383112
(CHEMBL2029372)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | 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 |
Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383115
(CHEMBL2031735)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C Show InChI InChI=1S/C29H29N3O/c1-20-5-7-23(8-6-20)24-9-11-25(12-10-24)29(33)31-27-14-13-26-17-22(18-30-28(26)21(27)2)19-32-15-3-4-16-32/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33) | Reactome pathway
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 |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50337334
(2-(4-chloro-2,6-difluorophenyl)-1-(4-(4-(5-methyl-...)Show SMILES Cc1cc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)Cc2c(F)cc(Cl)cc2F)[nH]n1 Show InChI InChI=1S/C22H21ClF2N8O/c1-13-9-19(29-28-13)26-21-18-3-2-4-33(18)30-22(27-21)32-7-5-31(6-8-32)20(34)12-15-16(24)10-14(23)11-17(15)25/h2-4,9-11H,5-8,12H2,1H3,(H2,26,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 mins |
Bioorg Med Chem Lett 21: 1425-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586606
(CHEMBL5080354)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50090510
(CHEMBL3581716)Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30) | PDB
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay |
J Med Chem 58: 3892-909 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD3 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50388452
(CHEMBL2059420)Show SMILES C[C@@H](N1CCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 |r| Show InChI InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1 | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50337335
((4-(4-(5-methyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f...)Show SMILES Cc1cc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)c2ccccc2S(C)(=O)=O)[nH]n1 Show InChI InChI=1S/C22H24N8O3S/c1-15-14-19(26-25-15)23-20-17-7-5-9-30(17)27-22(24-20)29-12-10-28(11-13-29)21(31)16-6-3-4-8-18(16)34(2,32)33/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27) | PDB
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Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 mins |
Bioorg Med Chem Lett 21: 1425-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50337336
(1-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)pyrrolo[1,2...)Show SMILES Cc1cc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)Cc2ccc(C)cc2)[nH]n1 Show InChI InChI=1S/C23H26N8O/c1-16-5-7-18(8-6-16)15-21(32)29-10-12-30(13-11-29)23-25-22(19-4-3-9-31(19)28-23)24-20-14-17(2)26-27-20/h3-9,14H,10-13,15H2,1-2H3,(H2,24,25,26,27,28) | PDB
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Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 mins |
Bioorg Med Chem Lett 21: 1425-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50337337
(2-(4-methoxyphenyl)-1-(4-(4-(5-methyl-1H-pyrazol-3...)Show SMILES COc1ccc(CC(=O)N2CCN(CC2)c2nc(Nc3cc(C)n[nH]3)c3cccn3n2)cc1 Show InChI InChI=1S/C23H26N8O2/c1-16-14-20(27-26-16)24-22-19-4-3-9-31(19)28-23(25-22)30-12-10-29(11-13-30)21(32)15-17-5-7-18(33-2)8-6-17/h3-9,14H,10-13,15H2,1-2H3,(H2,24,25,26,27,28) | PDB
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Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 mins |
Bioorg Med Chem Lett 21: 1425-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50090666
(CHEMBL3581717)Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H22F3N3O3S/c1-15(31)28-23-14-20(34(32,33)29-22-7-6-19(26)13-21(22)27)12-17-9-11-30(24(17)23)10-8-16-2-4-18(25)5-3-16/h2-7,12-14,29H,8-11H2,1H3,(H,28,31) | PDB
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay |
J Med Chem 58: 3892-909 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50357495
(CHEMBL1914630)Show SMILES Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCNCCc3c2)CC1 Show InChI InChI=1S/C25H31ClN2O/c26-24-7-5-19(6-8-24)21-11-16-28(17-12-21)15-1-2-25(29)23-4-3-20-9-13-27-14-10-22(20)18-23/h3-8,18,21,27H,1-2,9-17H2 | Reactome pathway
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Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells |
Bioorg Med Chem 19: 6261-73 (2011)
Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50388442
(CHEMBL2059408)Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C Show InChI InChI=1S/C26H31N3O2/c1-3-4-15-31-23-10-7-21(8-11-23)26(30)28-24-12-9-22-16-20(17-27-25(22)19(24)2)18-29-13-5-6-14-29/h7-12,16-17H,3-6,13-15,18H2,1-2H3,(H,28,30) | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50178701
(CHEMBL3814374)Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1 | PDB
MMDB
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Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro... |
Bioorg Med Chem Lett 26: 3278-3281 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383090
(CHEMBL2031730)Show SMILES Cc1cc2cc(CN3CCCC3)cnc2cc1NC(=O)c1ccc(cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H26FN3O/c1-19-14-24-15-20(18-32-12-2-3-13-32)17-30-27(24)16-26(19)31-28(33)23-6-4-21(5-7-23)22-8-10-25(29)11-9-22/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,33) | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50388444
(CHEMBL2059410)Show SMILES Cc1c(NC(=O)c2ccc(OCCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C27H31N3O2/c1-19-25(11-8-23-16-21(17-28-26(19)23)18-30-13-2-3-14-30)29-27(31)22-6-9-24(10-7-22)32-15-12-20-4-5-20/h6-11,16-17,20H,2-5,12-15,18H2,1H3,(H,29,31) | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383110
(CHEMBL2031731)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cc2ncc(CN3CCCC3)cc2cc1F Show InChI InChI=1S/C27H23F2N3O/c28-23-9-7-20(8-10-23)19-3-5-21(6-4-19)27(33)31-26-15-25-22(14-24(26)29)13-18(16-30-25)17-32-11-1-2-12-32/h3-10,13-16H,1-2,11-12,17H2,(H,31,33) | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383111
(CHEMBL2031732)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cc2ncc(CN3CCCC3)cc2cc1Cl Show InChI InChI=1S/C27H23ClFN3O/c28-24-14-22-13-18(17-32-11-1-2-12-32)16-30-25(22)15-26(24)31-27(33)21-5-3-19(4-6-21)20-7-9-23(29)10-8-20/h3-10,13-16H,1-2,11-12,17H2,(H,31,33) | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD2 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50388460
(CHEMBL2059513)Show SMILES C[C@@H](NCCNC(C)=O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 |r| Show InChI InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)/t18-/m1/s1 | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50178698
(CHEMBL3813720)Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F |r| Show InChI InChI=1S/C25H21ClF8N2O2/c26-17-6-7-21(35-13-17)23(11-15-4-2-1-3-5-15,36-14-19(37)12-24(30,31)32)16-8-18(27)10-20(9-16)38-25(33,34)22(28)29/h1-10,13,19,22,36-37H,11-12,14H2/t19?,23-/m0/s1 | PDB
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Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro... |
Bioorg Med Chem Lett 26: 3278-3281 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586604
(CHEMBL5093440)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(C(c1ccccc1)c1ccccc1)c1cc(ccc21)C(C)(C)O | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50388457
(CHEMBL2059426)Show SMILES CC(NCC(C)(C)O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 Show InChI InChI=1S/C27H33N3O3/c1-17-24(30-26(31)20-7-10-23(11-8-20)33-15-19-5-6-19)12-9-21-13-22(14-28-25(17)21)18(2)29-16-27(3,4)32/h7-14,18-19,29,32H,5-6,15-16H2,1-4H3,(H,30,31) | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50388443
(CHEMBL2059409)Show SMILES Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C26H29N3O2/c1-18-24(28-26(30)21-6-9-23(10-7-21)31-17-19-4-5-19)11-8-22-14-20(15-27-25(18)22)16-29-12-2-3-13-29/h6-11,14-15,19H,2-5,12-13,16-17H2,1H3,(H,28,30) | Reactome pathway
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50388450
(CHEMBL2059418)Show SMILES CC(N1CCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 Show InChI InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31) | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50383112
(CHEMBL2029372)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD2 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383113
(CHEMBL2031733)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccccc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H27N3O/c1-20-26(14-13-25-17-21(18-29-27(20)25)19-31-15-5-6-16-31)30-28(32)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-4,7-14,17-18H,5-6,15-16,19H2,1H3,(H,30,32) | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50178699
(CHEMBL3813836)Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1 | PDB
MMDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro... |
Bioorg Med Chem Lett 26: 3278-3281 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50337338
(2-(2,6-difluoro-4-methoxyphenyl)-1-(4-(4-(5-methyl...)Show SMILES COc1cc(F)c(CC(=O)N2CCN(CC2)c2nc(Nc3cc(C)n[nH]3)c3cccn3n2)c(F)c1 Show InChI InChI=1S/C23H24F2N8O2/c1-14-10-20(29-28-14)26-22-19-4-3-5-33(19)30-23(27-22)32-8-6-31(7-9-32)21(34)13-16-17(24)11-15(35-2)12-18(16)25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,26,27,28,29,30) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 mins |
Bioorg Med Chem Lett 21: 1425-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.022
BindingDB Entry DOI: 10.7270/Q2MG7PRT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50388443
(CHEMBL2059409)Show SMILES Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C26H29N3O2/c1-18-24(28-26(30)21-6-9-23(10-7-21)31-17-19-4-5-19)11-8-22-14-20(15-27-25(18)22)16-29-12-2-3-13-29/h6-11,14-15,19H,2-5,12-13,16-17H2,1H3,(H,28,30) | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50351324
(CHEMBL1818901)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22| Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32) | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50388458
(CHEMBL2059511)Show SMILES CC(NCCNC(C)=O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 Show InChI InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33) | Reactome pathway
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Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD3 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
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