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Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'farady' and Initial = 'c'   
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
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531296
PNG
(US11208399, Example 53)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531223
PNG
((R)-2-(4-Methyl-6-((1-methylpiperidin-3-yl)amino)p...)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531253
PNG
(US11208399, Example 12)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531331
PNG
(US11208399, Example 82)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531319
PNG
(US11208399, Example 71)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531289
PNG
(US11208399, Example 48)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531332
PNG
(US11208399, Example 83a)
Show SMILES Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531220
PNG
((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3...)
Show SMILES CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531288
PNG
(US11208399, Example 47)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531230
PNG
(US11208399, Example 6)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531254
PNG
(US11208399, Example 13)
Show SMILES Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531337
PNG
(3-Methyl-2-(6-(((1R,2R,5R)-8-methyl-8-azabicyclo[3...)
Show SMILES CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |TLB:0:1:6.7.8:3.4,THB:9:6:1:3.4|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531252
PNG
(US11208399, Example 11)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C#N)-c1c(C)cc(cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531354
PNG
(2-(6-(((3S, 5S)-5-Fluoro-1-methylpiperidin-3-yl)am...)
Show SMILES CN1C[C@@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531291
PNG
(US11208399, Example 49)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531339
PNG
(2-(6-(((1S,2S,5S)-8-(2-Hydroxyethyl)-8-azabicyclo[...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F |TLB:12:13:20:17.18,THB:21:20:13.14.15:17.18|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531364
PNG
((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)-5-methylpy...)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531232
PNG
(US11208399, Example 7)
Show SMILES CC(C)N1CCCC(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455106
PNG
(CHEMBL4216095)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1C\C=C\CCCO[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r,t:12|
Show InChI InChI=1S/C31H38FN5O7/c1-20-16-27(36-44-20)31(42)34-25-6-4-2-3-5-15-43-24-13-14-37(18-24)28(39)12-11-23(19-38)33-30(41)26(35-29(25)40)17-21-7-9-22(32)10-8-21/h2,4,7-10,16,19,23-26H,3,5-6,11-15,17-18H2,1H3,(H,33,41)(H,34,42)(H,35,40)/b4-2+/t23-,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455115
PNG
(CHEMBL4202932)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CCCNC(=O)[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r|
Show InChI InChI=1S/C29H35FN6O7/c1-17-13-24(35-43-17)29(42)33-22-3-2-11-31-26(39)19-10-12-36(15-19)25(38)9-8-21(16-37)32-28(41)23(34-27(22)40)14-18-4-6-20(30)7-5-18/h4-7,13,16,19,21-23H,2-3,8-12,14-15H2,1H3,(H,31,39)(H,32,41)(H,33,42)(H,34,40)/t19-,21-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455107
PNG
(CHEMBL4212167)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CNC(=O)C[C@H]2CCCN2C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r|
Show InChI InChI=1S/C28H33FN6O7/c1-16-11-22(34-42-16)27(40)33-23-14-30-24(37)13-20-3-2-10-35(20)25(38)9-8-19(15-36)31-26(39)21(32-28(23)41)12-17-4-6-18(29)7-5-17/h4-7,11,15,19-21,23H,2-3,8-10,12-14H2,1H3,(H,30,37)(H,31,39)(H,32,41)(H,33,40)/t19-,20+,21-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531292
PNG
(US11208399, Example 50)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(C)cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531323
PNG
(US11208399, Example 74)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCNC2)nn1)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531293
PNG
(US11208399, Example 51)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455105
PNG
(CHEMBL4218384)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1C\C=C\CO[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r,t:12|
Show InChI InChI=1S/C29H34FN5O7/c1-18-14-25(34-42-18)29(40)32-23-4-2-3-13-41-22-11-12-35(16-22)26(37)10-9-21(17-36)31-28(39)24(33-27(23)38)15-19-5-7-20(30)8-6-19/h2-3,5-8,14,17,21-24H,4,9-13,15-16H2,1H3,(H,31,39)(H,32,40)(H,33,38)/b3-2+/t21-,22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531282
PNG
(US11208399, Example 41)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC(NC2)C(O)=O)nn1)C(F)(F)F
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531224
PNG
((R)-3-Methyl-2-(5-methyl-6-((1-methylpiperidin-3-y...)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531286
PNG
(US11208399, Example 45)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1Cl |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531279
PNG
(US11208399, Example 39)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1C(F)(F)F)C(F)(F)F |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531350
PNG
(2-(6-(((R)-1-((S)-2-Hydroxypropyl)piperidin-3-yl)a...)
Show SMILES C[C@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531318
PNG
(US11208399, Example 70)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(Cl)cc1O)C(F)(F)F |r|
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531351
PNG
(2-(6-(((R)-1-((R)-2-Hydroxypropyl)piperidin-3-yl)a...)
Show SMILES C[C@@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531329
PNG
(US11208399, Example 80)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CC(C)(C)O)C2)nn1)C(F)(F)F |r|
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531310
PNG
(US11208399, Example 64)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C(F)(F)F)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 5.90n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531363
PNG
((R)-3-Methyl-2-(5-methyl-6-(piperidin-3-ylamino)py...)
Show SMILES Cc1cc(nnc1N[C@@H]1CCCNC1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455114
PNG
(CHEMBL4207862)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1CNC(=O)[C@H]2CCCN2C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r|
Show InChI InChI=1S/C27H31FN6O7/c1-15-11-20(33-41-15)25(38)32-21-13-29-27(40)22-3-2-10-34(22)23(36)9-8-18(14-35)30-24(37)19(31-26(21)39)12-16-4-6-17(28)7-5-16/h4-7,11,14,18-19,21-22H,2-3,8-10,12-13H2,1H3,(H,29,40)(H,30,37)(H,31,39)(H,32,38)/t18-,19-,21-,22+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531340
PNG
(2-(6-(((3R,6R)-6-(Hydroxymethyl)-1-methylpiperidin...)
Show SMILES CN1C[C@H](CC[C@@H]1CO)Nc1ccc(nn1)-c1c(C)cc(OC(F)(F)F)cc1O
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531352
PNG
(2-(6-(((3S,5S)-5-Fluoropiperidin-3-yl)amino)pyrida...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CNC[C@@H](F)C2)nn1)C(F)(F)F
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n/an/a 6.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531280
PNG
(US11208399, Example 40)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1c(C)cc(cc1O)C(F)(F)F |r,wD:5.7,(8,-3.36,;6.67,-2.59,;6.67,-1.05,;5.33,-.28,;4,-1.05,;4,-2.59,;5.33,-3.36,;2.67,-3.36,;1.33,-2.59,;,-3.36,;-1.33,-2.59,;-1.33,-1.05,;,-.28,;,1.26,;1.33,-1.05,;2.67,-.28,;-2.67,-.28,;-2.67,1.26,;-1.33,2.03,;-4,2.03,;-5.38,1.29,;-5.33,-.28,;-4,-1.05,;-4,-2.59,;-6.72,2.06,;-8.05,2.83,;-5.95,3.39,;-7.49,.72,)|
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n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455112
PNG
(CHEMBL4215964)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CNC(C)=O)C=O |r|
Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23?,24-,25-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531311
PNG
(US11208399, Example 65)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1ccc(cc1O)C(F)(F)F |r|
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n/an/a 7.40n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531360
PNG
((3S,5R)-5-((6-(2-Hydroxy-6-methyl-4-(trifluorometh...)
Show SMILES CN1C[C@@H](O)C[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455113
PNG
(CHEMBL4212963)
Show SMILES CN1Cc2cccc(c2)[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCC1=O)C=O |r|
Show InChI InChI=1S/C29H30FN5O6/c1-17-12-24(34-41-17)28(39)33-26-20-5-3-4-19(13-20)15-35(2)25(37)11-10-22(16-36)31-27(38)23(32-29(26)40)14-18-6-8-21(30)9-7-18/h3-9,12-13,16,22-23,26H,10-11,14-15H2,1-2H3,(H,31,38)(H,32,40)(H,33,39)/t22-,23-,26-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531302
PNG
(US11208399, Example 56)
Show SMILES Cc1cc(cc(O)c1-c1cc(c(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.13,2.03,;-2.46,1.26,;-3.8,2.03,;-5.18,1.29,;-5.13,-.28,;-3.8,-1.05,;-3.8,-2.59,;-2.46,-.28,;-1.13,-1.05,;.2,-.28,;1.63,-1.03,;1.54,-2.59,;2.87,-3.36,;4.21,-2.59,;5.54,-3.36,;6.31,-2.03,;6.51,-.5,;7.8,-1.63,;4.98,-1.26,;.2,-3.36,;-1.13,-2.59,;2.98,-.28,;4.32,.48,;2.22,1.06,;3.73,-1.62,;-6.51,2.06,;-7.84,2.83,;-5.74,3.39,;-7.28,.72,)|
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531221
PNG
(2-(6-(((cis)-3-Hydroxy-3-methylcyclobutyl)amino)py...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.69,2.69,;-3.02,1.93,;-4.35,2.69,;-5.69,1.93,;-5.69,.38,;-4.35,-.38,;-4.35,-1.93,;-3.02,.38,;-1.69,-.38,;-.35,.38,;.98,-.38,;.98,-1.93,;2.31,-2.69,;3.65,-1.93,;5.14,-2.32,;5.53,-.84,;7.02,-1.23,;6.3,.5,;4.05,-.44,;-.35,-2.69,;-1.69,-1.93,;-7.02,2.69,;-7.02,4.23,;-8.35,1.92,;-8.36,3.46,)|
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n/an/a 10.2n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531299
PNG
(US11208399, Example 54)
Show SMILES Cc1cc(nnc1N[C@H]1C[C@@](C)(O)C1)-c1c(C)cc(cc1O)C(F)(F)F |r,wU:10.11,wD:8.8,10.12,(3.06,-.28,;1.72,-1.05,;.39,-.28,;-.94,-1.05,;-.94,-2.59,;.39,-3.36,;1.72,-2.59,;3.06,-3.36,;4.39,-2.59,;5.88,-2.99,;6.28,-1.5,;6.08,.02,;7.61,-.73,;4.79,-1.1,;-2.28,-.28,;-2.28,1.26,;-.94,2.03,;-3.61,2.03,;-4.99,1.29,;-4.94,-.28,;-3.61,-1.05,;-3.61,-2.59,;-6.33,2.06,;-7.66,2.83,;-5.56,3.39,;-7.1,.72,)|
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n/an/a 11.8n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531356
PNG
(2-(6-(((3S, 5R)-5-Fluoro-1-methylpiperidin-3-yl)am...)
Show SMILES CN1C[C@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus 14)
BDBM50455111
PNG
(CHEMBL4217566)
Show SMILES CN1CC(=O)NC[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCC1=O)C=O |r|
Show InChI InChI=1S/C25H29FN6O7/c1-14-9-19(31-39-14)24(37)30-20-11-27-21(34)12-32(2)22(35)8-7-17(13-33)28-23(36)18(29-25(20)38)10-15-3-5-16(26)6-4-15/h3-6,9,13,17-18,20H,7-8,10-12H2,1-2H3,(H,27,34)(H,28,36)(H,29,38)(H,30,37)/t17-,18-,20-/m0/s1
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...


Bioorg Med Chem Lett 28: 906-909 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.064
BindingDB Entry DOI: 10.7270/Q2TF00Z3
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531324
PNG
(US11208399, Example 75)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC[C@@H]2C[C@H](F)CN2)nn1)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.3n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531309
PNG
(US11208399, Example 63)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CC(F)(F)F)C2)nn1)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.7n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
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