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Compile Data Set for Download or QSAR

Found 384 hits with Last Name = 'bence' and Initial = 'n'   
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
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575601
PNG
(CHEMBL4858933)
Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)nc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575593
PNG
(CHEMBL4878832)
Show SMILES CC(O)(c1csc(c1)C(=O)c1cncnc1N[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)c1cccc(Br)n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575590
PNG
(CHEMBL4864361)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C(O)c2cccc(Cl)n2)c(Cl)s1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575588
PNG
(CHEMBL4854038)
Show SMILES Cc1sc(cc1C(N)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575591
PNG
(CHEMBL4850183)
Show SMILES CC(O)(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575600
PNG
(CHEMBL4873487)
Show SMILES Cc1sc(cc1C1OCCc2cccnc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575587
PNG
(CHEMBL4852516)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C(O)c2cccc(Cl)c2)c(Cl)s1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575599
PNG
(CHEMBL4848140)
Show SMILES Cc1sc(cc1C1OCCc2ccccc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575592
PNG
(CHEMBL4860917)
Show SMILES CC(N)(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575586
PNG
(CHEMBL4848442)
Show SMILES Cc1sc(cc1C(O)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575589
PNG
(CHEMBL4877684)
Show SMILES NC(c1cc(sc1Cl)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575568
PNG
(CHEMBL4870385)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)c2)n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
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Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575604
PNG
(CHEMBL4873956)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C2NCCc3ccc(Cl)cc23)c(Cl)s1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575596
PNG
(CHEMBL4848114)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)[C@@H]1OCCc2ccccc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575594
PNG
(CHEMBL4856793)
Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575594
PNG
(CHEMBL4856793)
Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575597
PNG
(CHEMBL4861509)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1OCCc2ccc(Cl)cc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575579
PNG
(CHEMBL4847817)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)c2)c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575565
PNG
(CHEMBL4864280)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Cl)c2)n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575576
PNG
(CHEMBL4874906)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)n2)n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1/2


(Homo sapiens (Human))
BDBM50575606
PNG
(CHEMBL4856040)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1NCCc2ccc(Cl)cc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575633
PNG
(US11464802, Compound 2)
Show SMILES C[C@H]1C[C@@H](C)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575641
PNG
(US11464802, Compound 10)
Show SMILES Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC(F)(F)[C@H](C3)C#N)cc2C(F)(F)F)C1=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585834
PNG
(US11530229, Compound 49)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@@H](C3)C(F)(F)F)nc2C2CC2)C1=O |r,wU:9.12,wD:7.14,30.35,(6.86,-1.25,;5.4,-1.73,;4.92,-3.19,;3.38,-3.19,;2.9,-1.73,;4.15,-.82,;4.15,.72,;5.48,1.49,;6.57,.4,;7.66,1.49,;6.57,2.58,;9.2,1.49,;10.74,1.49,;4.15,2.26,;4.15,3.8,;2.82,4.57,;1.48,3.8,;1.48,2.26,;2.82,1.49,;.15,1.49,;-.01,-.04,;-1.52,-.36,;-2.29,.97,;-3.83,.97,;-4.6,-.36,;-6.14,-.36,;-6.91,-1.7,;-6.12,-3.03,;-6.89,-4.36,;-8.43,-4.36,;-9.2,-3.03,;-8.43,-1.7,;-10.74,-3.03,;-11.51,-1.7,;-11.51,-4.36,;-12.28,-3.03,;-3.83,-1.7,;-2.29,-1.7,;-1.52,-3.03,;-1.52,-4.57,;-.18,-3.8,;-1.26,2.12,;-1.58,3.62,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585838
PNG
(US11530229, Compound 53)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)cc(n2)C2CC2)c1 |r,wU:9.12,wD:7.14,(8.11,-3.9,;8.58,-2.44,;10.05,-1.96,;10.05,-.42,;8.58,.05,;7.68,-1.19,;6.14,-1.19,;5.37,.14,;6.46,1.23,;5.37,2.32,;4.28,1.23,;5.37,3.86,;5.37,5.4,;4.6,-1.19,;5.37,-2.53,;4.6,-3.86,;3.06,-3.86,;2.29,-2.53,;.75,-2.53,;-.02,-1.19,;.75,.14,;-1.56,-1.19,;-2.33,.14,;-3.87,.14,;-4.61,1.47,;-6.15,1.47,;-7.05,.23,;-8.52,.7,;-8.52,2.24,;-9.14,3.65,;-10.05,2.4,;-7.05,2.72,;-4.64,-1.19,;-3.87,-2.53,;-2.33,-2.53,;-4.64,-3.86,;-5.98,-4.63,;-4.64,-5.4,;3.06,-1.19,)|
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Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585839
PNG
(US11530229, Compound 54)
Show SMILES C[C@H]1C[C@@H](C)CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)C1 |r,wU:32.37,wD:23.24,1.0,3.3,(-9.64,4.14,;-8.87,2.81,;-9.64,1.47,;-8.87,.14,;-9.64,-1.2,;-7.33,.14,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,2.81,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585840
PNG
(US11530229, Compound 55)
Show SMILES C[C@H]1CCCN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)C1 |r,wU:31.36,wD:22.23,1.0,(-9.64,4.14,;-8.87,2.81,;-9.64,1.47,;-8.87,.14,;-7.33,.14,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,2.81,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585841
PNG
(US11530229, Compound 56)
Show SMILES C[C@@H]1CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)CCO1 |r,wU:29.34,wD:20.21,1.0,(-9.64,4.14,;-8.87,2.81,;-7.33,2.81,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,.14,;-8.87,.14,;-9.64,1.47,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585842
PNG
(US11530229, Compound 57)
Show SMILES C[C@@H]1CN(Cc2cc(nc(n2)C2CC2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCC1(F)F |r,wU:32.38,wD:23.25,1.0,(-8.97,4.14,;-8.2,2.81,;-6.66,2.81,;-5.89,1.47,;-4.35,1.47,;-3.62,.14,;-2.08,.14,;-1.31,-1.19,;-2.08,-2.53,;-3.62,-2.53,;-4.39,-1.19,;-4.39,-3.86,;-5.72,-4.63,;-4.39,-5.4,;.23,-1.19,;1,.14,;1,-2.53,;2.54,-2.53,;3.31,-3.86,;4.85,-3.86,;5.62,-2.53,;4.85,-1.19,;3.31,-1.19,;5.62,.14,;6.39,-1.19,;7.93,-1.19,;8.84,.05,;10.3,-.42,;10.3,-1.96,;8.84,-2.44,;8.36,-3.9,;6.71,1.23,;5.62,2.32,;4.53,1.23,;5.62,3.86,;5.62,5.4,;-6.66,.14,;-8.2,.14,;-8.97,1.47,;-10.06,.38,;-10.3,2.24,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585804
PNG
(US11530229, Compound 19)
Show SMILES C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:36.42,wD:27.29,1.0,(-10.75,-3.13,;-9.21,-3.13,;-8.44,-4.47,;-6.9,-4.47,;-6.13,-3.13,;-6.9,-1.8,;-6.13,-.47,;-4.59,-.47,;-3.82,.87,;-2.28,.87,;-1.25,2.01,;-1.57,3.52,;.16,1.39,;-0,-.15,;-1.51,-.47,;-2.28,-1.8,;-3.82,-1.8,;-1.51,-3.13,;-2.28,-4.47,;.03,-3.13,;-.74,-4.47,;1.49,2.16,;1.49,3.7,;2.82,4.47,;4.16,3.7,;4.16,2.16,;2.82,1.39,;5.49,1.39,;4.16,.62,;4.16,-.92,;2.91,-1.83,;3.39,-3.29,;4.93,-3.29,;5.4,-1.83,;6.87,-1.35,;6.58,.3,;7.67,1.39,;6.58,2.48,;9.21,1.39,;10.75,1.39,;-8.44,-1.8,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585805
PNG
(US11530229, Compound 20)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,27.29,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585806
PNG
(US11530229, Compound 21)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,27.29,wD:7.14,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585841
PNG
(US11530229, Compound 56)
Show SMILES C[C@@H]1CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)CCO1 |r,wU:29.34,wD:20.21,1.0,(-9.64,4.14,;-8.87,2.81,;-7.33,2.81,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,.14,;-8.87,.14,;-9.64,1.47,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585804
PNG
(US11530229, Compound 19)
Show SMILES C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:36.42,wD:27.29,1.0,(-10.75,-3.13,;-9.21,-3.13,;-8.44,-4.47,;-6.9,-4.47,;-6.13,-3.13,;-6.9,-1.8,;-6.13,-.47,;-4.59,-.47,;-3.82,.87,;-2.28,.87,;-1.25,2.01,;-1.57,3.52,;.16,1.39,;-0,-.15,;-1.51,-.47,;-2.28,-1.8,;-3.82,-1.8,;-1.51,-3.13,;-2.28,-4.47,;.03,-3.13,;-.74,-4.47,;1.49,2.16,;1.49,3.7,;2.82,4.47,;4.16,3.7,;4.16,2.16,;2.82,1.39,;5.49,1.39,;4.16,.62,;4.16,-.92,;2.91,-1.83,;3.39,-3.29,;4.93,-3.29,;5.4,-1.83,;6.87,-1.35,;6.58,.3,;7.67,1.39,;6.58,2.48,;9.21,1.39,;10.75,1.39,;-8.44,-1.8,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585805
PNG
(US11530229, Compound 20)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,27.29,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585806
PNG
(US11530229, Compound 21)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,27.29,wD:7.14,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|
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The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585841
PNG
(US11530229, Compound 56)
Show SMILES C[C@@H]1CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)CCO1 |r,wU:29.34,wD:20.21,1.0,(-9.64,4.14,;-8.87,2.81,;-7.33,2.81,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,.14,;-8.87,.14,;-9.64,1.47,)|
PDB

UniProtKB/SwissProt

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Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575659
PNG
(US11464802, Compound 22)
Show SMILES C[C@H]1C[C@H](CO)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575660
PNG
(US11464802, Compound 23)
Show SMILES C[C@H]1C[C@@H](CO)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575661
PNG
(US11464802, Compound 24)
Show SMILES CC1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)CC2)CCC1(F)F
PDB

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Assay Description
Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575669
PNG
(US11464802, Compound 32)
Show SMILES C[C@@H]1CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)C2(Cc3nncn3C)COC2)C2CC2)CCC1(F)F |r|
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Assay Description
Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575673
PNG
(US11464802, Compound 36)
Show SMILES C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C(F)F)COC2)C1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575676
PNG
(US11464802, Compound 39)
Show SMILES CCOc1cc(cc(n1)N1Cc2c(cc(CN3CCC[C@H](C)C3)cc2C(F)(F)F)C1=O)C1(Cc2nncn2C)COC1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575677
PNG
(US11464802, Compound 40)
Show SMILES CCOc1cc(cc(n1)N1Cc2c(cc(CN3CCC[C@H](C)C3)nc2C2CC2)C1=O)C1(Cc2nncn2C)COC1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575681
PNG
(US11464802, Compound 44)
Show SMILES CCNc1cc(cc(n1)N1Cc2c(cc(CN3CCC[C@H](C)C3)cc2C(F)(F)F)C1=O)C1(Cc2nncn2C)COC1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575685
PNG
(US11464802, Compound 49)
Show SMILES C[C@H](N1CCC(F)(F)[C@H](C)C1)c1cc2C(=O)N(Cc2c(n1)C1CC1)c1cccc(c1)C1(Cc2nncn2C)COC1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575686
PNG
(US11464802, Compound 50)
Show SMILES C[C@@H](N1CCC(F)(F)[C@H](C)C1)c1cc2C(=O)N(Cc2c(n1)C1CC1)c1cccc(c1)C1(Cc2nncn2C)COC1 |r|
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Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM575687
PNG
(US11464802, Compound 51)
Show SMILES C[C@H](N1CCC[C@H](C)C1)c1cc2C(=O)N(Cc2c(n1)C1CC1)c1cccc(c1)C1(Cc2nncn2C)COC1 |r|
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Assay Description
Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98CBJ
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585797
PNG
(US11530229, Compound 12)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CNC3CC4C(C3)C4(F)F)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(8.23,-1.35,;6.77,-1.83,;6.29,-3.29,;4.75,-3.29,;4.28,-1.83,;5.52,-.92,;5.52,.62,;6.86,1.39,;7.94,.3,;9.03,1.39,;7.94,2.48,;10.57,1.39,;12.11,1.39,;5.52,2.16,;5.52,3.7,;4.19,4.47,;2.85,3.7,;2.85,2.16,;4.19,1.39,;1.52,1.39,;1.36,-.15,;-.15,-.47,;-.92,.87,;-2.46,.87,;-3.23,-.47,;-4.77,-.47,;-5.54,-1.8,;-7.08,-1.8,;-7.98,-.55,;-9.45,-1.03,;-9.45,-2.57,;-7.98,-3.04,;-10.78,-1.8,;-12.11,-1.03,;-12.11,-2.57,;-2.46,-1.8,;-.92,-1.8,;-.15,-3.13,;-.92,-4.47,;1.39,-3.13,;.62,-4.47,;.11,2.01,;-.21,3.52,)|
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Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585803
PNG
(US11530229, Compound 18)
Show SMILES C[C@H]1C[C@@H](C)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:37.43,wD:28.30,1.0,3.3,(-10.75,-2.39,;-9.21,-2.39,;-8.44,-3.72,;-6.9,-3.72,;-6.5,-5.21,;-6.13,-2.39,;-6.9,-1.06,;-6.13,.28,;-4.59,.28,;-3.82,1.61,;-2.28,1.61,;-1.25,2.76,;-1.57,4.26,;.16,2.13,;-0,.6,;-1.51,.28,;-2.28,-1.06,;-3.82,-1.06,;-1.51,-2.39,;-2.28,-3.72,;.03,-2.39,;-.74,-3.72,;1.49,2.9,;1.49,4.44,;2.82,5.21,;4.16,4.44,;4.16,2.9,;2.82,2.13,;5.49,2.13,;4.16,1.36,;4.16,-.18,;2.91,-1.09,;3.39,-2.55,;4.93,-2.55,;5.4,-1.09,;6.87,-.61,;6.58,1.04,;7.67,2.13,;6.58,3.22,;9.21,2.13,;10.75,2.13,;-8.44,-1.06,)|
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Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
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