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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50017923   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein ENL


(Homo sapiens)
BDBM50459745
PNG
(CHEMBL4210431)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r|
Show InChI InChI=1S/C40H70N8O9/c1-12-25(8)33(40(57)48-18-14-15-30(48)35(52)42-27(19-22(2)3)38(55)46(10)11)45-34(51)29(21-49)43-37(54)32(24(6)7)44-36(53)31-16-13-17-47(31)39(56)28(20-23(4)5)41-26(9)50/h22-25,27-33,49H,12-21H2,1-11H3,(H,41,50)(H,42,52)(H,43,54)(H,44,53)(H,45,51)/t25-,27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606137
PNG
(CHEMBL5187921)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606139
PNG
(CHEMBL5198951)
Show SMILES CNC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC(C)C)C(C)C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
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UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606141
PNG
(CHEMBL5187149)
Show SMILES CC(C)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606142
PNG
(CHEMBL5197715)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccccc1)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

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UniChem
Article
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13n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606140
PNG
(CHEMBL5184570)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

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UniChem
Article
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15n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606146
PNG
(CHEMBL5206253)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606144
PNG
(CHEMBL5199592)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](CC(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606147
PNG
(CHEMBL5203898)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606143
PNG
(CHEMBL5208460)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50459730
PNG
(CHEMBL4211714)
Show SMILES CC(C)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1CC1CCCCC1)-c1ccccc1 |r|
Show InChI InChI=1S/C47H72N8O5/c1-31(2)23-24-41(56)54-25-14-22-40(54)45(58)52-42(32(3)4)46(59)51-37(28-48)44(57)50-36(27-33-15-11-12-16-33)47(60)55-26-13-21-39(55)43-49-38(35-19-9-6-10-20-35)30-53(43)29-34-17-7-5-8-18-34/h6,9-10,19-20,30-34,36-37,39-40,42H,5,7-8,11-18,21-29,48H2,1-4H3,(H,50,57)(H,51,59)(H,52,58)/t36-,37-,39-,40-,42-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606145
PNG
(CHEMBL5190103)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606138
PNG
(CHEMBL5207031)
Show SMILES CNC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
32n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606139
PNG
(CHEMBL5198951)
Show SMILES CNC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC(C)C)C(C)C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
109n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606141
PNG
(CHEMBL5187149)
Show SMILES CC(C)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
112n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606142
PNG
(CHEMBL5197715)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccccc1)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem
Article
PubMed
157n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50606137
PNG
(CHEMBL5187921)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein AF-9


(Homo sapiens)
BDBM50459745
PNG
(CHEMBL4210431)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r|
Show InChI InChI=1S/C40H70N8O9/c1-12-25(8)33(40(57)48-18-14-15-30(48)35(52)42-27(19-22(2)3)38(55)46(10)11)45-34(51)29(21-49)43-37(54)32(24(6)7)44-36(53)31-16-13-17-47(31)39(56)28(20-23(4)5)41-26(9)50/h22-25,27-33,49H,12-21H2,1-11H3,(H,41,50)(H,42,52)(H,43,54)(H,44,53)(H,45,51)/t25-,27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606146
PNG
(CHEMBL5206253)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
184n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606144
PNG
(CHEMBL5199592)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](CC(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
204n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606140
PNG
(CHEMBL5184570)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
209n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606138
PNG
(CHEMBL5207031)
Show SMILES CNC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
231n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606147
PNG
(CHEMBL5203898)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
232n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50459730
PNG
(CHEMBL4211714)
Show SMILES CC(C)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1CC1CCCCC1)-c1ccccc1 |r|
Show InChI InChI=1S/C47H72N8O5/c1-31(2)23-24-41(56)54-25-14-22-40(54)45(58)52-42(32(3)4)46(59)51-37(28-48)44(57)50-36(27-33-15-11-12-16-33)47(60)55-26-13-21-39(55)43-49-38(35-19-9-6-10-20-35)30-53(43)29-34-17-7-5-8-18-34/h6,9-10,19-20,30-34,36-37,39-40,42H,5,7-8,11-18,21-29,48H2,1-4H3,(H,50,57)(H,51,59)(H,52,58)/t36-,37-,39-,40-,42-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
240n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606145
PNG
(CHEMBL5190103)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](C(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
245n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair
Protein ENL


(Homo sapiens)
BDBM50606143
PNG
(CHEMBL5208460)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)c1nc2cccc(-c3ccccc3)c2[nH]1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
254n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00083
BindingDB Entry DOI: 10.7270/Q2VT1X6W
More data for this
Ligand-Target Pair