Found 299 hits with Last Name = 'yoon' and Initial = 'y' 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 |
|---|
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50347490
(CHEMBL1802333)Show SMILES Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 Show InChI InChI=1S/C22H26ClFN8O/c23-21-29-15-18(24)20(31-21)28-14-17-3-1-16(2-4-17)13-27-19-5-6-25-22(30-19)26-7-8-32-9-11-33-12-10-32/h1-6,15H,7-14H2,(H,28,29,31)(H2,25,26,27,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated fo... |
J Med Chem 53: 8556-68 (2010)
Article DOI: 10.1021/jm100786g
BindingDB Entry DOI: 10.7270/Q2PK0GH6 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431696
(CHEMBL2349534)Show InChI InChI=1S/C18H17FN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50225415
(CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...)Show InChI InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated fo... |
J Med Chem 53: 8556-68 (2010)
Article DOI: 10.1021/jm100786g
BindingDB Entry DOI: 10.7270/Q2PK0GH6 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431690
(CHEMBL2349540)Show SMILES Cc1c(nn(C)c1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431692
(CHEMBL2349538)Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1F)C(=O)Nc1cccc(C)n1 |(61.97,-12.43,;61.98,-10.89,;63.24,-10,;62.78,-8.53,;61.24,-8.51,;60.34,-7.26,;60.75,-9.97,;59.28,-10.44,;58.16,-9.39,;56.69,-9.85,;56.35,-11.36,;54.88,-11.82,;57.5,-12.4,;58.96,-11.93,;60.1,-12.97,;64.7,-10.49,;65,-12,;65.85,-9.47,;67.31,-9.96,;67.61,-11.48,;69.07,-11.97,;70.23,-10.95,;69.92,-9.43,;71.07,-8.41,;68.46,-8.95,)| Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)13-8-7-12(19)9-14(13)20/h4-9H,1-3H3,(H,21,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431695
(CHEMBL2349535)Show SMILES Cc1c(nn(C)c1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H17ClN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431693
(CHEMBL2349537)Show SMILES Cc1c(nn(C)c1-c1ccc(F)c(F)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431697
(CHEMBL2349533)Show InChI InChI=1S/C18H18N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,19,20,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431694
(CHEMBL2349536)Show SMILES Cc1c(nn(C)c1-c1cccc(Cl)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H17ClN4O/c1-11-6-4-9-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-5-8-14(19)10-13/h4-10H,1-3H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431689
(CHEMBL2349541)Show InChI InChI=1S/C19H20N4O/c1-12-8-10-15(11-9-12)18-14(3)17(22-23(18)4)19(24)21-16-7-5-6-13(2)20-16/h5-11H,1-4H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431691
(CHEMBL2349539)Show SMILES Cc1c(nn(C)c1-c1cc(F)cc(F)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-13(19)9-14(20)8-12/h4-9H,1-3H3,(H,21,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50347491
(CHEMBL1802329)Show SMILES CCOCCN1CCN(CC1)C(=O)c1cnc(NCc2ccc(CNc3ncc(F)cn3)cc2)nc1C(F)(F)F Show InChI InChI=1S/C26H30F4N8O2/c1-2-40-12-11-37-7-9-38(10-8-37)23(39)21-17-35-25(36-22(21)26(28,29)30)32-14-19-5-3-18(4-6-19)13-31-24-33-15-20(27)16-34-24/h3-6,15-17H,2,7-14H2,1H3,(H,31,33,34)(H,32,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated fo... |
J Med Chem 53: 8556-68 (2010)
Article DOI: 10.1021/jm100786g
BindingDB Entry DOI: 10.7270/Q2PK0GH6 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431717
(CHEMBL2346726)Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-14(19)15(20)9-13/h4-9H,1-3H3,(H,21,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624845
(US20230322706, Example 29)Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)C(C)(C)c2ccc(CC(C)(C)C(O)=O)cc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431722
(CHEMBL2346721)Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)n1 Show InChI InChI=1S/C16H13ClFN5O/c1-9-13(15(24)20-12-7-8-19-16(17)21-12)22-23(2)14(9)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624843
(US20230322706, Example 27 | US20230322706, Example...)Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431728
(CHEMBL2346715)Show InChI InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-14-8-7-13(19)9-20-14)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624819
(US20230322706, Example 5)Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)CCc2ccc(cc2)C(C)(C)C(=O)OC)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431719
(CHEMBL2346724 | MTE)Show InChI InChI=1S/C11H8N2S/c1-9-8-14-11(13-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50122758
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624829
(US20230322706, Example 15)Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431718
(CHEMBL2346725)Show InChI InChI=1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431716
(CHEMBL2346727)Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H16ClFN4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-15(20)14(19)9-13/h4-9H,1-3H3,(H,21,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431721
(CHEMBL2346722)Show InChI InChI=1S/C16H15FN4OS/c1-9-8-23-16(18-9)19-15(22)13-10(2)14(21(3)20-13)11-4-6-12(17)7-5-11/h4-8H,1-3H3,(H,18,19,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431678
(CHEMBL2346711)Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)n1 Show InChI InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-5-3-4-13(18)20-14)22-23(2)16(10)11-6-8-12(19)9-7-11/h3-9H,1-2H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431687
(CHEMBL2349543)Show SMILES COc1ccc(cc1)-c1c(C)c(nn1C)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H20N4O2/c1-12-6-5-7-16(20-12)21-19(24)17-13(2)18(23(3)22-17)14-8-10-15(25-4)11-9-14/h5-11H,1-4H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431713
(CHEMBL2346730)Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624824
(US20230322706, Example 10)Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccccc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50431029
(CHEMBL574646)Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay |
J Med Chem 56: 3456-66 (2013)
Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50431029
(CHEMBL574646)Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay |
J Med Chem 56: 3456-66 (2013)
Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50193253
(CHEMBL3961676)Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-; | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay |
Eur J Med Chem 120: 338-52 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50198326
(CHEMBL3908835)Show InChI InChI=1S/C23H27N3/c1-3-18-8-12-20(13-9-18)24-16-22-6-5-7-23(26-22)17-25-21-14-10-19(4-2)11-15-21/h5-15,24-25H,3-4,16-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University
Curated by ChEMBL
| Assay Description
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by ... |
Bioorg Med Chem 24: 5052-5060 (2016)
Article DOI: 10.1016/j.bmc.2016.08.018
BindingDB Entry DOI: 10.7270/Q2WS8W7J |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431705
(ADX48621 | CHEMBL2346738 | Dipraglurant)Show InChI InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Estrogen-related receptor gamma
(Homo sapiens (Human)) | BDBM50193253
(CHEMBL3961676)Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-; | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation
Curated by ChEMBL
| Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay |
Eur J Med Chem 120: 338-52 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624841
(US20230322706, Example 26)Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccc(cc2)C(C)(C)C(O)=O)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624830
(US20230322706, Example 16)Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccc(cc2)C(C)(C)C(O)=O)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624832
(US20230322706, Example 18)Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)C(C)(C)c2ccc(CC(C)(C)C(O)=O)cc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431712
(CHEMBL2346731)Show InChI InChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-5-3-4-14(19)21-15)20-11(2)23(10)13-8-6-12(18)7-9-13/h3-9H,1-2H3,(H,21,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431684
(CHEMBL2349546)Show InChI InChI=1S/C18H24N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,20,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431704
(CHEMBL2346739)Show InChI InChI=1S/C19H20N4O/c1-4-15-17(19(24)21-16-12-8-9-13(2)20-16)22-23(3)18(15)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624812
(US20230322706, Example 2)Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)Cc2ccc(CC(=O)OC)cc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431701
(CHEMBL2349529)Show InChI InChI=1S/C15H18N4O/c1-10-6-5-9-13(16-10)17-15(20)14-11-7-3-4-8-12(11)19(2)18-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431730
(CHEMBL2346713)Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C)n1 Show InChI InChI=1S/C18H16F2N4O/c1-10-16(18(25)22-15-9-8-14(20)11(2)21-15)23-24(3)17(10)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,21,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624811
(US20230322706, Example 1)Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)OCc2ccccc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50198327
(CHEMBL3948266)Show InChI InChI=1S/C15H23N3O2/c1-2-14(12-17-4-8-19-9-5-17)16-15(3-1)13-18-6-10-20-11-7-18/h1-3H,4-13H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University
Curated by ChEMBL
| Assay Description
Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by ... |
Bioorg Med Chem 24: 5052-5060 (2016)
Article DOI: 10.1016/j.bmc.2016.08.018
BindingDB Entry DOI: 10.7270/Q2WS8W7J |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM624821
(US20230322706, Example 7)Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431688
(CHEMBL2349542)Show SMILES Cc1c(nn(C)c1-c1ccc(cc1)C(F)(F)F)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H17F3N4O/c1-11-5-4-6-15(23-11)24-18(27)16-12(2)17(26(3)25-16)13-7-9-14(10-8-13)19(20,21)22/h4-10H,1-3H3,(H,23,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431706
(CHEMBL2346737)Show SMILES Cc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C16H13ClFN5O/c1-9-14(15(24)21-13-7-8-19-16(17)22-13)20-10(2)23(9)12-5-3-11(18)4-6-12/h3-8H,1-2H3,(H,19,21,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431723
(CHEMBL2346720)Show InChI InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-13-7-8-20-14(19)9-13)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50431714
(CHEMBL2346729)Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H17F3N4O/c1-11-5-4-6-16(23-11)25-18(27)17-12(2)26(13(3)24-17)15-9-7-14(8-10-15)19(20,21)22/h4-10H,1-3H3,(H,23,25,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
SK Biopharmaceuticals
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 2134-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5 |
More data for this
Ligand-Target Pair | |
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