Found 411 hits with Last Name = 'o''neill' and Initial = 'jc' 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 |
|---|
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50577263
(CHEMBL4850236)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human sigma1 receptor by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50577261
(CHEMBL4849905)Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2CCCCc3ccccc3-c2nn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]NMS from human acetyl cholinesterase receptor expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation co... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50012008
(CHEMBL3263286)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1cccc(c1)C(=O)NC |r| Show InChI InChI=1S/C30H34F3N3O4/c1-34-27(37)21-4-2-3-20(13-21)19-7-10-35(11-8-19)24-15-26-29(16-24,9-12-39-26)28(38)36-17-22-14-23(30(31,32)33)5-6-25(22)40-18-36/h2-6,13-14,19,24,26H,7-12,15-18H2,1H3,(H,34,37)/t24-,26-,29-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577264
(CHEMBL4873386)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.427 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577264
(CHEMBL4873386)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577262
(CHEMBL4853244)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2nn(C)cc2c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]NMS from human muscarinic receptor M4 expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation counting a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577264
(CHEMBL4873386)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.589 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577264
(CHEMBL4873386)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50012003
(CHEMBL3263282)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C28H32F3N3O2/c29-28(30,31)22-14-21-18-34(12-8-24(21)32-17-22)26(35)27-9-13-36-25(27)15-23(16-27)33-10-6-20(7-11-33)19-4-2-1-3-5-19/h1-5,14,17,20,23,25H,6-13,15-16,18H2/t23-,25-,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577267
(CHEMBL4855467)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577267
(CHEMBL4855467)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577271
(CHEMBL4864914)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577268
(CHEMBL4851711)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577271
(CHEMBL4864914)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50577268
(CHEMBL4851711)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011988
(CHEMBL3263270)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3/t18-,19?,20?,21-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Ketohexokinase
(Homo sapiens (Human)) | BDBM50389319
(CHEMBL2063924)Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCC2(CNC2)C1 Show InChI InChI=1S/C23H28N8S/c1-32-17-5-3-2-4-16(17)28-21-18-19(20(27-14-26-18)25-10-15-6-7-15)29-22(30-21)31-9-8-23(13-31)11-24-12-23/h2-5,14-15,24H,6-13H2,1H3,(H,25,26,27)(H,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human hepatic KHKC |
Bioorg Med Chem Lett 22: 5326-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.008
BindingDB Entry DOI: 10.7270/Q21J9BV6 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577269
(CHEMBL4854289)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577269
(CHEMBL4854289)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577265
(CHEMBL4876599)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577265
(CHEMBL4876599)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011821
(CHEMBL3263256)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CC(CC)O2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C25H34F3N3O4/c1-3-18-11-24(10-17(9-22(24)35-18)30-20-5-7-34-14-21(20)33-2)23(32)31-6-4-19-15(13-31)8-16(12-29-19)25(26,27)28/h8,12,17-18,20-22,30H,3-7,9-11,13-14H2,1-2H3/t17-,18?,20?,21?,22-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577263
(CHEMBL4850236)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577263
(CHEMBL4850236)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577263
(CHEMBL4850236)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| | PDB
Reactome pathway
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MCE
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UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577263
(CHEMBL4850236)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| | PDB
Reactome pathway
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TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577266
(CHEMBL4848896)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r| | PDB
Reactome pathway
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TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577266
(CHEMBL4848896)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r| | PDB
Reactome pathway
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TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011986
(CHEMBL3263268)Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@H]1CCOC[C@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18+,19-,20-,22-/m1/s1 | PDB
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Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011990
(CHEMBL3263272)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N[C@@]1([H])CCOC[C@H]1OC |r| Show InChI InChI=1S/C23H29F3N2O5/c1-30-19-12-31-6-4-17(19)27-16-9-20-22(10-16,5-7-32-20)21(29)28-11-14-8-15(23(24,25)26)2-3-18(14)33-13-28/h2-3,8,16-17,19-20,27H,4-7,9-13H2,1H3/t16-,17+,19-,20-,22-/m1/s1 | PDB
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| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577272
(CHEMBL4865665)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r| | PDB
Reactome pathway
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577270
(CHEMBL4860985)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r| | PDB
Reactome pathway
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577270
(CHEMBL4860985)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r| | PDB
Reactome pathway
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50577272
(CHEMBL4865665)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r| | PDB
Reactome pathway
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4 |
More data for this
Ligand-Target Pair | |
Ketohexokinase
(Homo sapiens (Human)) | BDBM50380257
(CHEMBL2017253)Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CC2(CNC2)C1 Show InChI InChI=1S/C22H26N8S/c1-31-16-5-3-2-4-15(16)27-20-17-18(19(26-13-25-17)24-8-14-6-7-14)28-21(29-20)30-11-22(12-30)9-23-10-22/h2-5,13-14,23H,6-12H2,1H3,(H,24,25,26)(H,27,28,29) | PDB
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Similars
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human hepatic KHKC |
Bioorg Med Chem Lett 22: 5326-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.008
BindingDB Entry DOI: 10.7270/Q21J9BV6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011987
(CHEMBL3263269)Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@@H]1CCOC[C@@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18-,19+,20-,22-/m1/s1 | PDB
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PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 expressed in THP1 cells assessed as inhibition of MCP-1 induced chemotaxis |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011987
(CHEMBL3263269)Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@@H]1CCOC[C@@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18-,19+,20-,22-/m1/s1 | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Ketohexokinase
(Homo sapiens (Human)) | BDBM50380246
(CHEMBL2017214)Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human hepatic KHKC |
Bioorg Med Chem Lett 22: 5326-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.008
BindingDB Entry DOI: 10.7270/Q21J9BV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Steroid hormone receptor ERR1
(Homo sapiens (Human)) | BDBM50336739
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c2ccccc12 |w:13.12,c:17| Show InChI InChI=1S/C23H17NO6S/c1-28-19-11-13(12-20-21(25)24-23(27)31-20)7-9-18(19)30-17-10-8-16(22(26)29-2)14-5-3-4-6-15(14)17/h3-12H,1-2H3,(H,24,25,27) | PDB
MMDB
Reactome pathway
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| Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay |
J Med Chem 54: 788-808 (2012)
Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011986
(CHEMBL3263268)Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@H]1CCOC[C@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18+,19-,20-,22-/m1/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 expressed in THP1 cells assessed as inhibition of MCP-1 induced chemotaxis |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011967
(CHEMBL3263259)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CC(O2)c1ccccc1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C29H34F3N3O4/c1-37-25-17-38-10-8-23(25)34-21-12-26-28(13-21,14-24(39-26)18-5-3-2-4-6-18)27(36)35-9-7-22-19(16-35)11-20(15-33-22)29(30,31)32/h2-6,11,15,21,23-26,34H,7-10,12-14,16-17H2,1H3/t21-,23?,24?,25?,26-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Ketohexokinase
(Homo sapiens (Human)) | BDBM50389323
(CHEMBL2063925)Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCC2(CCNCC2)CC1 Show InChI InChI=1S/C26H34N8S/c1-35-20-5-3-2-4-19(20)31-24-21-22(23(30-17-29-21)28-16-18-6-7-18)32-25(33-24)34-14-10-26(11-15-34)8-12-27-13-9-26/h2-5,17-18,27H,6-16H2,1H3,(H,28,29,30)(H,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| 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 |
Janssen Pharmaceutical Companies of Johnson& Johnson
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human hepatic KHKC |
Bioorg Med Chem Lett 22: 5326-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.008
BindingDB Entry DOI: 10.7270/Q21J9BV6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011820
(CHEMBL3263255)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18?,19?,20-,22-/m1/s1 | PDB
KEGG
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50424007
(CHEMBL2313768)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(OC(F)(F)F)cc2C1 |r| Show InChI InChI=1S/C25H33F3N2O4/c1-32-22-15-33-10-7-21(22)29-19-12-18-3-2-8-24(18,13-19)23(31)30-9-6-16-4-5-20(11-17(16)14-30)34-25(26,27)28/h4-5,11,18-19,21-22,29H,2-3,6-10,12-15H2,1H3/t18-,19-,21?,22?,24-/m1/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR2 |
Bioorg Med Chem Lett 23: 351-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.069
BindingDB Entry DOI: 10.7270/Q27S7Q2Z |
More data for this
Ligand-Target Pair | |
Steroid hormone receptor ERR1
(Homo sapiens (Human)) | BDBM50336759
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27) | PDB
MMDB
Reactome pathway
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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UniChem
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay |
J Med Chem 54: 788-808 (2012)
Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011903
(CHEMBL3263258)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CC(O2)C1CC1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C26H34F3N3O4/c1-34-22-14-35-7-5-20(22)31-18-9-23-25(10-18,11-21(36-23)15-2-3-15)24(33)32-6-4-19-16(13-32)8-17(12-30-19)26(27,28)29/h8,12,15,18,20-23,31H,2-7,9-11,13-14H2,1H3/t18-,20?,21?,22?,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446850
(CHEMBL3115109)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCCNC(C)=O |r| Show InChI InChI=1S/C28H38F3N5O6/c1-17(37)32-5-8-42-26(39)36-14-20-10-21(34-23-4-7-41-15-24(23)40-2)11-27(20,16-36)25(38)35-6-3-22-18(13-35)9-19(12-33-22)28(29,30)31/h9,12,20-21,23-24,34H,3-8,10-11,13-16H2,1-2H3,(H,32,37)/t20-,21+,23?,24?,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50424003
(CHEMBL2313772)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C24H31ClF3N3O3/c1-33-21-13-34-5-3-20(21)30-18-8-15-7-17(25)9-23(15,10-18)22(32)31-4-2-19-14(12-31)6-16(11-29-19)24(26,27)28/h6,11,15,17-18,20-21,30H,2-5,7-10,12-13H2,1H3/t15-,17+,18-,20?,21?,23-/m1/s1 | PDB
KEGG
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 |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human CCR2 |
Bioorg Med Chem Lett 23: 351-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.069
BindingDB Entry DOI: 10.7270/Q27S7Q2Z |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50446854
(CHEMBL3115105)Show SMILES COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)OCC(C)C |r| Show InChI InChI=1S/C28H39F3N4O5/c1-17(2)14-40-26(37)35-13-20-9-21(33-23-5-7-39-15-24(23)38-3)10-27(20,16-35)25(36)34-6-4-22-18(12-34)8-19(11-32-22)28(29,30)31/h8,11,17,20-21,23-24,33H,4-7,9-10,12-16H2,1-3H3/t20-,21+,23?,24?,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs |
Bioorg Med Chem Lett 24: 1239-42 (2014)
Article DOI: 10.1016/j.bmcl.2013.05.024
BindingDB Entry DOI: 10.7270/Q2DR2X0V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50424031
(CHEMBL2313764)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r| Show InChI InChI=1S/C24H32F3N3O3/c1-32-21-14-33-8-5-20(21)29-18-10-16-3-2-6-23(16,11-18)22(31)30-7-4-19-15(13-30)9-17(12-28-19)24(25,26)27/h9,12,16,18,20-21,29H,2-8,10-11,13-14H2,1H3/t16-,18-,20+,21-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 (unknown origin) assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 23: 351-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.069
BindingDB Entry DOI: 10.7270/Q27S7Q2Z |
More data for this
Ligand-Target Pair | |
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