Found 344 hits with Last Name = 'claiborne' and Initial = 'cf' 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 |
Aurora kinase A
(Mus musculus (mouse)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP |
ACS Med Chem Lett 6: 630-4 (2015)
Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182065
(CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1 |w:23.25| Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-13-11-20(27)18-19(24)10-12-21-22(8-7-9-23(21)28)25(33)31-26(29)30-14-3-6-17-32-15-4-2-5-16-32/h7-9,11,13,18H,2-6,10,12,14-17H2,1H3,(H3,29,30,31,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124914
(CHEMBL161180 | N-(3,5-Dichloro-benzyl)-4-trifluoro...)Show SMILES NC(=NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C15H11Cl2F3N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124885
((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...)Show InChI InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182064
(CHEMBL383117 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C26H36BrClN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124909
(CHEMBL159744 | N-(3,5-Dimethyl-benzyl)-4-trifluoro...)Show SMILES Cc1cc(C)cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7| Show InChI InChI=1S/C17H17F3N2O/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)23-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50212688
(2-(3,5-dimethyl-benzyl)-5-trifluoromethoxy-2,3-dih...)Show InChI InChI=1S/C18H17F3N2O/c1-11-5-12(2)7-13(6-11)9-23-10-14-8-15(24-18(19,20)21)3-4-16(14)17(23)22/h3-8,22H,9-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to NMDA NR2B receptor |
Bioorg Med Chem Lett 17: 3997-4000 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50212685
(2-benzofuran-7-ylmethyl-5-trifluoromethoxy-2,3-dih...)Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)25-14-4-5-15-13(8-14)10-23(17(15)22)9-12-3-1-2-11-6-7-24-16(11)12/h1-8,22H,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to NMDA NR2B receptor |
Bioorg Med Chem Lett 17: 3997-4000 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182072
(CHEMBL205594 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN1CCC(CN=C(N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1 |w:7.6| Show InChI InChI=1S/C25H32BrFN4O2/c1-3-31-13-11-17(12-14-31)16-29-25(28)30-24(32)21-5-4-6-22(27)20(21)9-7-18-15-19(26)8-10-23(18)33-2/h4-6,8,10,15,17H,3,7,9,11-14,16H2,1-2H3,(H3,28,29,30,32) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182077
(CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1 |w:23.25| Show InChI InChI=1S/C25H32BrFN4O2/c1-33-23-12-10-19(26)17-18(23)9-11-20-21(7-5-8-22(20)27)24(32)30-25(28)29-13-6-16-31-14-3-2-4-15-31/h5,7-8,10,12,17H,2-4,6,9,11,13-16H2,1H3,(H3,28,29,30,32) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203311
(4-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)Show InChI InChI=1S/C19H24N4O2/c1-15-3-5-17(6-4-15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50212684
(2-(2-methoxy-benzyl)-5-trifluoromethoxy-2,3-dihydr...)Show InChI InChI=1S/C17H15F3N2O2/c1-23-15-5-3-2-4-11(15)9-22-10-12-8-13(24-17(18,19)20)6-7-14(12)16(22)21/h2-8,21H,9-10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to NMDA NR2B receptor |
Bioorg Med Chem Lett 17: 3997-4000 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203310
(4-ethylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pip...)Show InChI InChI=1S/C20H26N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h3-7,10-11,17H,2,8-9,12-15H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124923
(CHEMBL162080 | N-(3,5-Dimethyl-benzyl)-4-trifluoro...)Show SMILES Cc1cc(C)cc(CN=C(N)c2ccc(cc2)C(F)(F)F)c1 |w:8.7| Show InChI InChI=1S/C17H17F3N2/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182073
(CHEMBL205468 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C26H36BrFN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182083
(CHEMBL380854 | N-[4-(benzyl-methyl-amino)-butyl]-N...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1ccccc1 |w:23.25| Show InChI InChI=1S/C29H34BrFN4O2/c1-35(20-21-9-4-3-5-10-21)18-7-6-17-33-29(32)34-28(36)25-11-8-12-26(31)24(25)15-13-22-19-23(30)14-16-27(22)37-2/h3-5,8-12,14,16,19H,6-7,13,15,17-18,20H2,1-2H3,(H3,32,33,34,36) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124908
(CHEMBL159560 | N-(2-Methoxy-benzyl)-4-trifluoromet...)Show SMILES COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1 |w:9.9| Show InChI InChI=1S/C16H15F3N2O2/c1-22-14-5-3-2-4-12(14)10-21-15(20)11-6-8-13(9-7-11)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Mus musculus (mouse)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP |
ACS Med Chem Lett 6: 630-4 (2015)
Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203315
(4-isopropylbenzyl 4-[(2-pyrimidinylamino)methyl]-1...)Show InChI InChI=1S/C21H28N4O2/c1-16(2)19-6-4-18(5-7-19)15-27-21(26)25-12-8-17(9-13-25)14-24-20-22-10-3-11-23-20/h3-7,10-11,16-17H,8-9,12-15H2,1-2H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50212687
(2-(3-chloro-benzyl)-5-trifluoromethoxy-2,3-dihydro...)Show InChI InChI=1S/C16H12ClF3N2O/c17-12-3-1-2-10(6-12)8-22-9-11-7-13(23-16(18,19)20)4-5-14(11)15(22)21/h1-7,21H,8-9H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to NMDA NR2B receptor |
Bioorg Med Chem Lett 17: 3997-4000 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124892
((E)-N-Benzyl-3-phenyl-acrylamidine | CHEMBL158874)Show InChI InChI=1S/C16H16N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203305
(CHEMBL219060 | benzyl 4-[(pyridin-4-ylamino)methyl...)Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-4-2-1-3-5-17)22-12-8-16(9-13-22)14-21-18-6-10-20-11-7-18/h1-7,10-11,16H,8-9,12-15H2,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182068
(CHEMBL208376 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C24H35BrN4O2S/c1-5-29(6-2)14-7-8-17(3)27-24(26)28-23(30)20-13-15-32-22(20)12-9-18-16-19(25)10-11-21(18)31-4/h10-11,13,15-17H,5-9,12,14H2,1-4H3,(H3,26,27,28,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124918
(3,4-Dichloro-N-(2-trifluoromethoxy-benzyl)-benzami...)Show SMILES NC(=NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 |w:2.2| Show InChI InChI=1S/C15H11Cl2F3N2O/c16-11-6-5-9(7-12(11)17)14(21)22-8-10-3-1-2-4-13(10)23-15(18,19)20/h1-7H,8H2,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182067
(CHEMBL439158 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC1CCNCC1 |w:23.25| Show InChI InChI=1S/C23H28BrFN4O2/c1-31-21-8-6-17(24)13-16(21)5-7-18-19(3-2-4-20(18)25)22(30)29-23(26)28-14-15-9-11-27-12-10-15/h2-4,6,8,13,15,27H,5,7,9-12,14H2,1H3,(H3,26,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182078
(CHEMBL382833 | N-(4-diethylamino-1-methyl-butyl)-N...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1 |w:10.9| Show InChI InChI=1S/C27H39FN4O3/c1-6-32(7-2)15-9-10-19(3)30-27(29)31-26(33)24-11-8-12-25(28)23(24)14-13-20-16-21(34-4)18-22(17-20)35-5/h8,11-12,16-19H,6-7,9-10,13-15H2,1-5H3,(H3,29,30,31,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203300
(CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...)Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-4-2-1-3-5-16)22-10-6-15(7-11-22)12-21-17-13-19-8-9-20-17/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124919
(3,4-Dichloro-N-(3-chloro-benzyl)-benzamidine | CHE...)Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 |w:2.2| Show InChI InChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203308
(2-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)Show InChI InChI=1S/C18H21FN4O2/c19-16-5-2-1-4-15(16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-3-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203323
(4-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)Show InChI InChI=1S/C18H21FN4O2/c19-16-4-2-15(3-5-16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-1-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124921
(CHEMBL159558 | N-(3-Chloro-benzyl)-4-trifluorometh...)Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F |w:2.2| Show InChI InChI=1S/C15H12ClF3N2/c16-13-3-1-2-10(8-13)9-21-14(20)11-4-6-12(7-5-11)15(17,18)19/h1-8H,9H2,(H2,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182076
(CHEMBL383120 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCC2CCCCC2C1 |w:23.25| Show InChI InChI=1S/C30H40BrFN4O2/c1-38-28-14-12-24(31)19-22(28)11-13-25-26(9-6-10-27(25)32)29(37)35-30(33)34-16-4-5-17-36-18-15-21-7-2-3-8-23(21)20-36/h6,9-10,12,14,19,21,23H,2-5,7-8,11,13,15-18,20H2,1H3,(H3,33,34,35,37) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124917
(CHEMBL349727 | N-(3-Methoxy-benzyl)-4-trifluoromet...)Show SMILES COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7| Show InChI InChI=1S/C16H15F3N2O2/c1-22-14-4-2-3-11(9-14)10-21-15(20)12-5-7-13(8-6-12)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203325
(2,3-dihydro-1H-inden-2-yl 4-[(pyrimidin-2-ylamino)...)Show InChI InChI=1S/C20H24N4O2/c25-20(26-18-12-16-4-1-2-5-17(16)13-18)24-10-6-15(7-11-24)14-23-19-21-8-3-9-22-19/h1-5,8-9,15,18H,6-7,10-14H2,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203301
(CHEMBL435316 | benzyl 4-[(2-pyrimidinylamino)methy...)Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-5-2-1-3-6-16)22-11-7-15(8-12-22)13-21-17-19-9-4-10-20-17/h1-6,9-10,15H,7-8,11-14H2,(H,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182062
(CHEMBL205214 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCc2ccccc2C1 |w:23.25| Show InChI InChI=1S/C30H34BrFN4O2/c1-38-28-14-12-24(31)19-22(28)11-13-25-26(9-6-10-27(25)32)29(37)35-30(33)34-16-4-5-17-36-18-15-21-7-2-3-8-23(21)20-36/h2-3,6-10,12,14,19H,4-5,11,13,15-18,20H2,1H3,(H3,33,34,35,37) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203313
(CHEMBL218017 | benzyl 4-[(pyridin-2-ylamino)methyl...)Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-6-2-1-3-7-17)22-12-9-16(10-13-22)14-21-18-8-4-5-11-20-18/h1-8,11,16H,9-10,12-15H2,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50142891
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)Show InChI InChI=1S/C18H19BrN2O/c1-22-17-9-8-15(19)12-14(17)7-6-13-4-2-3-5-16(13)18-20-10-11-21-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra... |
J Med Chem 47: 1602-4 (2004)
Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124920
(CHEMBL421976 | N-(2-Chloro-benzyl)-4-trifluorometh...)Show SMILES NC(=NCc1ccccc1Cl)c1ccc(cc1)C(F)(F)F |w:2.2| Show InChI InChI=1S/C15H12ClF3N2/c16-13-4-2-1-3-11(13)9-21-14(20)10-5-7-12(8-6-10)15(17,18)19/h1-8H,9H2,(H2,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182060
(CHEMBL204670 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1cccc2ccccc12 |w:23.25| Show InChI InChI=1S/C33H36BrFN4O2/c1-39(22-25-11-7-10-23-9-3-4-12-27(23)25)20-6-5-19-37-33(36)38-32(40)29-13-8-14-30(35)28(29)17-15-24-21-26(34)16-18-31(24)41-2/h3-4,7-14,16,18,21H,5-6,15,17,19-20,22H2,1-2H3,(H3,36,37,38,40) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124922
(4-Chloro-N-(3-chloro-benzyl)-benzamidine | CHEMBL1...)Show InChI InChI=1S/C14H12Cl2N2/c15-12-6-4-11(5-7-12)14(17)18-9-10-2-1-3-13(16)8-10/h1-8H,9H2,(H2,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182080
(CHEMBL206316 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCN(C)CC1 |w:23.25| Show InChI InChI=1S/C25H33BrFN5O2/c1-31-13-15-32(16-14-31)12-4-11-29-25(28)30-24(33)21-5-3-6-22(27)20(21)9-7-18-17-19(26)8-10-23(18)34-2/h3,5-6,8,10,17H,4,7,9,11-16H2,1-2H3,(H3,28,29,30,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50212681
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(3-chlor...)Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1cccc(Cl)c1 |t:13| Show InChI InChI=1S/C16H11Cl2F3N2O/c17-11-3-1-2-9(6-11)13-8-22-15(23-13)10-4-5-14(12(18)7-10)24-16(19,20)21/h1-7,13H,8H2,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to NMDA NR2B receptor |
Bioorg Med Chem Lett 17: 3997-4000 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50142894
(2-[2-(5-Bromo-2-methoxy-benzylsulfanyl)-phenyl]-1,...)Show InChI InChI=1S/C18H19BrN2OS/c1-22-16-8-7-14(19)11-13(16)12-23-17-6-3-2-5-15(17)18-20-9-4-10-21-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra... |
J Med Chem 47: 1602-4 (2004)
Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124907
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay |
Bioorg Med Chem Lett 13: 697-700 (2003)
BindingDB Entry DOI: 10.7270/Q2FX78TP |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50124907
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to NMDA NR2B receptor |
Bioorg Med Chem Lett 17: 3997-4000 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50212682
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(2-metho...)Show SMILES COc1ccccc1C1CNC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1 |c:12| Show InChI InChI=1S/C17H14ClF3N2O2/c1-24-14-5-3-2-4-11(14)13-9-22-16(23-13)10-6-7-15(12(18)8-10)25-17(19,20)21/h2-8,13H,9H2,1H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to NMDA NR2B receptor |
Bioorg Med Chem Lett 17: 3997-4000 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.084 BindingDB Entry DOI: 10.7270/Q21J99GV |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human)) | BDBM50203302
(CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...)Show InChI InChI=1S/C18H22N4O2/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells |
J Med Chem 50: 807-19 (2007)
Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182058
(CHEMBL206141 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCNC1CCCCC1 |w:23.25| Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-14-12-19(27)17-18(24)11-13-21-22(9-5-10-23(21)28)25(33)32-26(29)31-16-6-15-30-20-7-3-2-4-8-20/h5,9-10,12,14,17,20,30H,2-4,6-8,11,13,15-16H2,1H3,(H3,29,31,32,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182070
(CHEMBL205553 | N-(4-diethylamino-1-methyl-butyl)-N...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12 |w:10.9| Show InChI InChI=1S/C29H37FN4O/c1-4-34(5-2)20-10-11-21(3)32-29(31)33-28(35)26-16-9-17-27(30)25(26)19-18-23-14-8-13-22-12-6-7-15-24(22)23/h6-9,12-17,21H,4-5,10-11,18-20H2,1-3H3,(H3,31,32,33,35) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MC4R by membrane filtration assay |
Bioorg Med Chem Lett 16: 2302-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW |
More data for this Ligand-Target Pair | |