Found 920 hits with Last Name = 'qi' and Initial = 'a' 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 | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50596239
(CHEMBL5189893)Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ |
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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587720
(CHEMBL5195946)Show SMILES COc1ccc2C(=O)N(Cc3ccc(cc3)C(=O)NO)C(=O)c3cccc1c23 | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01782
BindingDB Entry DOI: 10.7270/Q2G73JP3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587716
(CHEMBL5188297)Show SMILES ONC(=O)CCCCCCC(=O)N\N=C\c1cnc(nc1)N(c1ccccc1)c1ccccc1 | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01782
BindingDB Entry DOI: 10.7270/Q2G73JP3 |
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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532351
(CHEMBL4565958)Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1 | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532351
(CHEMBL4565958)Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1 | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532350
(CHEMBL4571067)Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1 |r| Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1 | 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 | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532350
(CHEMBL4571067)Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1 |r| Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1 | 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 | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120086
(US8697715, 1 | US9259470, 1)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120086
(US8697715, 1 | US9259470, 1)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Progesterone receptor
(Rattus norvegicus) | BDBM50366382
(CHEMBL57078)Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C(F)(F)F |t:8| Show InChI InChI=1S/C19H25F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h10,13-16,24H,2-9H2,1H3/t13-,14?,15?,16?,17-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus |
Bioorg Med Chem Lett 5: 1899-1902 (1995)
Article DOI: 10.1016/0960-894X(95)00320-S
BindingDB Entry DOI: 10.7270/Q2KP82N5 |
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 | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM16016
(CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...)Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1 Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 21: 315-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532362
(CHEMBL4436718)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r| Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1 | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50596231
(CHEMBL5182783)Show SMILES Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50596231
(CHEMBL5182783)Show SMILES Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532362
(CHEMBL4436718)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r| Show InChI InChI=1S/C22H20ClFN6O2/c1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15/h3-12,20,31H,2,13H2,1H3,(H,25,27,28)/t20-/m1/s1 | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM417049
(4-((6-chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-...)Show InChI InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01782
BindingDB Entry DOI: 10.7270/Q2G73JP3 |
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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM110036
(US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01782
BindingDB Entry DOI: 10.7270/Q2G73JP3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM120086
(US8697715, 1 | US9259470, 1)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM120086
(US8697715, 1 | US9259470, 1)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587718
(CHEMBL5185889) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01782
BindingDB Entry DOI: 10.7270/Q2G73JP3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120095
(US10525036, Example GDC-0994 | US10934304, Example...)Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120095
(US10525036, Example GDC-0994 | US10934304, Example...)Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Progesterone receptor
(Rattus norvegicus) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus |
Bioorg Med Chem Lett 5: 1899-1902 (1995)
Article DOI: 10.1016/0960-894X(95)00320-S
BindingDB Entry DOI: 10.7270/Q2KP82N5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50532351
(CHEMBL4565958)Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50532351
(CHEMBL4565958)Show SMILES Cc1n[nH]cc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-12-18(10-25-28-12)27-21-24-6-4-17(26-21)13-5-7-29(20(31)9-13)19(11-30)14-2-3-15(22)16(23)8-14/h2-10,19,30H,11H2,1H3,(H,25,28)(H,24,26,27)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50532350
(CHEMBL4571067)Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1 |r| Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50532350
(CHEMBL4571067)Show SMILES Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1 |r| Show InChI InChI=1S/C23H19ClFN5O2/c1-14-10-17(4-7-26-14)28-23-27-8-5-20(29-23)15-6-9-30(22(32)12-15)21(13-31)16-2-3-18(24)19(25)11-16/h2-12,21,31H,13H2,1H3,(H,26,27,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16016
(CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...)Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1 Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 21: 315-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T |
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
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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 | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532361
(CHEMBL4435650)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1 | 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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532361
(CHEMBL4435650)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)cn1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-16(22)17(23)8-14/h2-11,19,30H,12H2,1H3,(H,24,26,27)/t19-/m1/s1 | 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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 (unknown origin) |
J Med Chem 59: 5650-60 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00389
BindingDB Entry DOI: 10.7270/Q2M90D42 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Rattus norvegicus) | BDBM50366381
(CHEMBL301446)Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F |c:4,10| Show InChI InChI=1S/C19H23F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h10,15-16,24H,2-9H2,1H3/t15?,16?,17-,18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus |
Bioorg Med Chem Lett 5: 1899-1902 (1995)
Article DOI: 10.1016/0960-894X(95)00320-S
BindingDB Entry DOI: 10.7270/Q2KP82N5 |
More data for this
Ligand-Target Pair | |
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