Found 2846 hits with Last Name = 'engers' and Initial = 'dw' 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 |
|---|
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240552
(CHEMBL195)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes |
J Med Chem 34: 1879-84 (1991)
Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240552
(CHEMBL195)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from recombinant human M4 receptor expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50268390
(CHEMBL4071900)Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1 Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes |
J Med Chem 34: 1879-84 (1991)
Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50240548
(CHEMBL4059829)Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C25H24F2N4O2/c26-20-5-6-22(21(27)13-20)33-24-14-23(28-16-29-24)30-10-8-18(9-11-30)25(32)31-12-7-17-3-1-2-4-19(17)15-31/h1-6,13-14,16,18H,7-12,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from recombinant human M4 receptor expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 2479-2483 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H |
More data for this
Ligand-Target Pair | |
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 | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50283472
(CHEMBL4160748)Show SMILES COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)| Show InChI InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Displacement of [3H] substance P from recombinant human NK1 receptor expressed in CHO cells after 90 mins by scintillation counting method |
ACS Med Chem Lett 8: 1110-1115 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00317
BindingDB Entry DOI: 10.7270/Q2B85BN1 |
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 | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560457
(CHEMBL4790396)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2nccnc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-2
(Homo sapiens (Human)) | BDBM50434751
(CHEMBL2385579)Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1 Show InChI InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of TGFBR2 (unknown origin) |
Bioorg Med Chem Lett 23: 3248-52 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P |
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 | |
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 | |
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 | |
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 | |
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
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| 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
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| 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
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antibodypedia
GoogleScholar
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| 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)) | 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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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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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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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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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 | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560477
(CHEMBL4742906)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560478
(CHEMBL4790557)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)ccc2n1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560479
(CHEMBL4778971)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560481
(CHEMBL4746124)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)ccc2n1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human)) | BDBM50560477
(CHEMBL4742906)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human)) | BDBM50560468
(CHEMBL4786529)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560480
(CHEMBL4779300)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2ccccc2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human)) | BDBM50560479
(CHEMBL4778971)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase receptor R3
(Homo sapiens (Human)) | BDBM50560477
(CHEMBL4742906)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK1 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human)) | BDBM50560466
(CHEMBL4740381)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human)) | BDBM50560467
(CHEMBL4788859)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | 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)) | BDBM50577266
(CHEMBL4848896)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | 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 | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560482
(CHEMBL4753476)Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)cc(F)c2n1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50560472
(CHEMBL4741939)Show SMILES CC(C)N1CCN(CC1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human)) | BDBM50262016
(4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-12-24-22-20(13-25-26(22)14-16)18-10-11-23-21-5-3-2-4-19(18)21/h2-14H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of ALK3 (unknown origin) |
Bioorg Med Chem Lett 23: 3248-52 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50243109
(5-(2-m-tolylethynyl)pyrimidine | 5-(m-tolylethynyl...)Show InChI InChI=1S/C13H10N2/c1-11-3-2-4-12(7-11)5-6-13-8-14-10-15-9-13/h2-4,7-10H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Negative allosteric modulator activity at rat mGluR5 receptor expressed in HEK293A cells |
Bioorg Med Chem Lett 21: 2711-4 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.119
BindingDB Entry DOI: 10.7270/Q21C1X6Z |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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 | |
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