Found 25 hits of kd for UniProtKB: P35222 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589359
(CHEMBL5205469)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSC\C=C/CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)CN |r,c:12| | 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 | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589360
(CHEMBL5180356)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSC\C=C/CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CN |r,c:12| | 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 | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589356
(CHEMBL5194459)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N |c:13| | 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 | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50436055
(CHEMBL2397076)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O |r,wU:8.8,18.18,2.2,31.31,23.23,42.42,59.60,81.82,102.105,116.125,132.149,146.160,157.171,wD:4.3,18.39,52.53,70.71,88.89,8.116,125.128,c:13,(20.12,-51.04,;18.77,-50.3,;18.73,-48.76,;20.04,-47.96,;17.37,-48.03,;16.05,-48.83,;14.7,-48.11,;14.65,-46.57,;13.36,-48.91,;12.59,-50.22,;14.13,-50.23,;13.35,-51.56,;14.12,-52.89,;25.82,-50.54,;26.59,-49.21,;25.83,-47.88,;26.6,-46.55,;25.84,-45.22,;26.6,-43.9,;27.36,-45.22,;25.24,-43.18,;23.93,-43.98,;23.96,-45.52,;22.55,-43.25,;22.51,-41.71,;23.83,-40.89,;25.2,-41.63,;23.79,-39.35,;21.26,-44.05,;19.9,-43.33,;19.86,-41.79,;18.59,-44.13,;17.25,-43.4,;17.2,-41.86,;15.82,-41.13,;18.5,-41.05,;18.64,-45.67,;17.33,-46.49,;15.96,-45.75,;27.92,-43.1,;27.88,-41.56,;29.28,-43.82,;30.59,-43.02,;30.55,-41.48,;31.86,-40.66,;31.98,-39.12,;33.47,-38.76,;34.28,-40.08,;33.28,-41.25,;31.94,-43.75,;32,-45.29,;33.25,-42.94,;34.61,-43.67,;34.65,-45.21,;33.34,-46.02,;36.02,-45.95,;35.92,-42.86,;35.87,-41.32,;37.28,-43.59,;38.59,-42.78,;38.54,-41.24,;39.88,-40.43,;39.83,-38.89,;41.13,-38.08,;41.1,-36.54,;39.74,-35.81,;42.4,-35.73,;39.96,-43.51,;40.01,-45.05,;41.28,-42.7,;42.62,-43.43,;42.67,-44.98,;44.03,-45.71,;44.07,-47.25,;45.43,-47.99,;45.48,-49.53,;46.84,-50.26,;44.16,-50.34,;43.94,-42.62,;43.9,-41.08,;45.3,-43.36,;46.61,-42.55,;46.57,-41,;45.21,-40.27,;47.89,-40.2,;47.97,-43.28,;48.02,-44.82,;49.29,-42.47,;50.65,-43.2,;50.69,-44.75,;52.05,-45.48,;53.43,-44.81,;54.5,-45.93,;53.77,-47.28,;54.28,-48.74,;53.28,-49.92,;51.77,-49.63,;51.25,-48.18,;52.26,-47,;51.96,-42.4,;51.91,-40.85,;53.3,-43.13,;54.62,-42.32,;54.58,-40.78,;55.89,-39.97,;55.85,-38.42,;57.16,-37.61,;58.52,-38.35,;59.84,-37.54,;58.57,-39.89,;55.98,-43.05,;57.29,-42.24,;56.03,-44.59,;12.02,-48.16,;10.71,-48.95,;10.73,-50.48,;9.37,-48.19,;9.35,-46.66,;10.66,-45.87,;10.64,-44.34,;9.3,-43.59,;11.96,-43.56,;8.05,-48.98,;6.71,-48.23,;6.69,-46.7,;5.38,-49.01,;5.25,-50.55,;3.76,-50.89,;2.97,-49.57,;3.98,-48.41,;3.64,-46.92,;4.77,-45.87,;2.18,-46.46,;1.83,-44.97,;2.96,-43.92,;4.45,-44.22,;5.2,-42.89,;4.17,-41.77,;4.31,-40.23,;3.05,-39.35,;1.65,-40,;1.52,-41.52,;2.77,-42.4,;1.04,-47.51,;-.42,-47.05,;-.77,-45.56,;-1.55,-48.1,;-3.02,-47.64,;-3.36,-46.15,;-4.83,-45.69,;-5.18,-44.19,;-6.64,-43.74,;-6.98,-42.24,;-7.76,-44.79,;-1.21,-49.59,;-2.35,-50.63,;-3.81,-50.18,;-2.01,-52.13,;-3.12,-53.17,;-4.59,-52.72,;-5.71,-53.77,;-7.19,-53.31,;-8.31,-54.36,;-9.78,-53.9,;-7.97,-55.85,;-.54,-52.58,;-.2,-54.08,;1.28,-54.54,;-1.32,-55.13,)| Show InChI InChI=1S/C110H174N38O21/c1-12-61(8)86-100(166)139-76(49-58(2)3)92(158)138-79(53-83(151)152)96(162)147-109(10,41-21-15-13-14-16-22-42-110(11,103(169)145-86)146-95(161)75(39-40-82(111)150)136-97(163)81-38-28-48-148(81)101(167)80(51-64-55-130-69-32-20-18-30-67(64)69)141-90(156)72(35-25-45-126-106(117)118)134-88(154)71(132-62(9)149)34-24-44-125-105(115)116)102(168)142-78(52-65-56-123-57-131-65)94(160)144-84(59(4)5)98(164)137-73(36-26-46-127-107(119)120)89(155)135-74(37-27-47-128-108(121)122)91(157)143-85(60(6)7)99(165)140-77(50-63-54-129-68-31-19-17-29-66(63)68)93(159)133-70(87(112)153)33-23-43-124-104(113)114/h13-14,17-20,29-32,54-61,70-81,84-86,129-130H,12,15-16,21-28,33-53H2,1-11H3,(H2,111,150)(H2,112,153)(H,123,131)(H,132,149)(H,133,159)(H,134,154)(H,135,155)(H,136,163)(H,137,164)(H,138,158)(H,139,166)(H,140,165)(H,141,156)(H,142,168)(H,143,157)(H,144,160)(H,145,169)(H,146,161)(H,147,162)(H,151,152)(H4,113,114,124)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)/b14-13-/t61-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-,86-,109-,110-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society
Curated by ChEMBL
| Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay |
Bioorg Med Chem 21: 4020-6 (2013)
Article DOI: 10.1016/j.bmc.2013.02.050
BindingDB Entry DOI: 10.7270/Q2BP046Z |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50407971
(CHEMBL5275939)Show SMILES CCS(=O)(=O)CCC(=O)CNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc12 Show InChI InChI=1S/C20H21ClN2O5S/c1-2-29(26,27)10-9-16(24)12-22-20(25)23-13-14-5-3-4-6-18(14)28-19-8-7-15(21)11-17(19)23/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50436054
(CHEMBL2397077)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O |r,wU:8.8,18.18,2.2,31.31,23.23,42.42,59.60,81.82,102.105,116.127,134.151,148.162,159.173,wD:4.3,18.39,52.53,70.71,88.89,8.116,127.130,c:13,(25.34,-10.98,;23.99,-10.24,;23.95,-8.7,;25.26,-7.9,;22.59,-7.97,;21.26,-8.77,;19.92,-8.05,;19.87,-6.51,;18.58,-8.85,;17.81,-10.16,;19.34,-10.17,;18.57,-11.5,;19.33,-12.83,;31.04,-10.48,;31.81,-9.15,;31.04,-7.82,;31.82,-6.49,;31.05,-5.16,;31.82,-3.84,;32.58,-5.16,;30.46,-3.12,;29.14,-3.92,;29.18,-5.46,;27.77,-3.19,;27.73,-1.65,;29.05,-.83,;30.42,-1.57,;29.01,.71,;26.48,-3.99,;25.11,-3.27,;25.08,-1.73,;23.81,-4.07,;22.47,-3.34,;22.42,-1.8,;21.04,-1.07,;23.72,-.98,;23.86,-5.61,;22.55,-6.43,;21.18,-5.69,;33.14,-3.04,;33.09,-1.5,;34.5,-3.76,;35.81,-2.96,;35.76,-1.42,;37.08,-.6,;37.2,.95,;38.69,1.3,;39.49,-.02,;38.5,-1.19,;37.16,-3.69,;37.22,-5.23,;38.47,-2.88,;39.83,-3.61,;39.87,-5.15,;38.56,-5.96,;41.24,-5.89,;41.14,-2.8,;41.09,-1.26,;42.49,-3.53,;43.81,-2.72,;43.76,-1.18,;45.09,-.37,;45.05,1.18,;46.35,2,;46.31,3.54,;44.96,4.26,;47.62,4.34,;45.18,-3.45,;45.23,-4.99,;46.5,-2.64,;47.84,-3.37,;47.89,-4.92,;49.25,-5.65,;49.29,-7.19,;50.65,-7.93,;50.7,-9.47,;52.06,-10.2,;49.38,-10.28,;49.15,-2.56,;49.12,-1.02,;50.52,-3.3,;51.83,-2.49,;51.79,-.94,;50.43,-.21,;53.11,-.14,;53.19,-3.22,;53.24,-4.76,;54.51,-2.41,;55.87,-3.14,;55.91,-4.69,;57.27,-5.42,;58.65,-4.74,;59.71,-5.87,;58.99,-7.22,;59.5,-8.68,;58.5,-9.85,;56.98,-9.57,;56.47,-8.12,;57.48,-6.94,;57.18,-2.34,;57.13,-.79,;58.52,-3.07,;59.84,-2.26,;59.8,-.72,;61.11,.1,;61.07,1.65,;62.38,2.45,;63.74,1.72,;65.06,2.53,;63.79,.18,;61.2,-2.99,;62.51,-2.18,;61.25,-4.53,;17.24,-8.1,;15.92,-8.88,;15.95,-10.42,;14.59,-8.13,;14.57,-6.6,;15.88,-5.81,;15.86,-4.28,;17.23,-3.46,;17.21,-1.86,;18.58,-1.05,;15.81,-1.09,;13.26,-8.92,;11.93,-8.17,;11.9,-6.64,;10.6,-8.95,;10.47,-10.49,;8.97,-10.83,;8.19,-9.51,;9.2,-8.35,;8.86,-6.86,;9.99,-5.81,;7.39,-6.4,;7.05,-4.91,;8.18,-3.86,;9.67,-4.16,;10.42,-2.83,;9.39,-1.71,;9.53,-.17,;8.27,.72,;6.87,.07,;6.74,-1.46,;7.99,-2.34,;6.26,-7.45,;4.8,-6.99,;4.46,-5.5,;3.67,-8.04,;2.21,-7.58,;1.86,-6.09,;.4,-5.63,;.06,-4.13,;-1.42,-3.68,;-1.77,-2.18,;-2.55,-4.73,;4.01,-9.53,;2.89,-10.57,;1.42,-10.12,;3.22,-12.07,;2.1,-13.11,;.63,-12.66,;-.49,-13.71,;-1.97,-13.25,;-3.09,-14.3,;-4.56,-13.84,;-2.75,-15.79,;4.69,-12.52,;5.03,-14.02,;6.5,-14.48,;3.91,-15.07,)| Show InChI InChI=1S/C111H178N40O20/c1-12-62(8)86-100(168)142-77(50-59(2)3)92(160)141-80(54-83(153)154)96(164)150-110(10,41-21-15-13-14-16-22-42-111(11,103(171)148-86)149-95(163)76(39-28-48-131-109(123)124)139-97(165)82-40-29-49-151(82)101(169)81(52-65-56-133-70-33-20-18-31-68(65)70)144-90(158)73(36-25-45-128-106(117)118)137-88(156)72(135-63(9)152)35-24-44-127-105(115)116)102(170)145-79(53-66-57-125-58-134-66)94(162)147-84(60(4)5)98(166)140-74(37-26-46-129-107(119)120)89(157)138-75(38-27-47-130-108(121)122)91(159)146-85(61(6)7)99(167)143-78(51-64-55-132-69-32-19-17-30-67(64)69)93(161)136-71(87(112)155)34-23-43-126-104(113)114/h13-14,17-20,30-33,55-62,71-82,84-86,132-133H,12,15-16,21-29,34-54H2,1-11H3,(H2,112,155)(H,125,134)(H,135,152)(H,136,161)(H,137,156)(H,138,157)(H,139,165)(H,140,166)(H,141,160)(H,142,168)(H,143,167)(H,144,158)(H,145,170)(H,146,159)(H,147,162)(H,148,171)(H,149,163)(H,150,164)(H,153,154)(H4,113,114,126)(H4,115,116,127)(H4,117,118,128)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)/b14-13-/t62-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,84-,85-,86-,110-,111-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society
Curated by ChEMBL
| Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay |
Bioorg Med Chem 21: 4020-6 (2013)
Article DOI: 10.1016/j.bmc.2013.02.050
BindingDB Entry DOI: 10.7270/Q2BP046Z |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50407972
(CHEMBL5276549)Show SMILES CCS(=O)(=O)CCC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc12 Show InChI InChI=1S/C19H20ClN3O5S/c1-2-29(26,27)10-9-18(24)21-22-19(25)23-12-13-5-3-4-6-16(13)28-17-8-7-14(20)11-15(17)23/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589357
(CHEMBL5178667)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N |c:13| | 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 | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50436056
(CHEMBL2397073)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O |r,wU:18.18,8.8,139.142,122.129,106.113,4.3,23.23,42.42,59.60,79.80,94.95,wD:130.138,115.116,8.104,2.2,31.31,18.19,52.53,68.69,86.87,c:13,(13.27,-42.64,;13.27,-44.18,;14.61,-44.95,;15.94,-44.18,;14.61,-46.49,;13.27,-47.26,;11.94,-46.49,;11.94,-44.95,;10.6,-47.26,;9.83,-48.58,;11.36,-48.59,;10.59,-49.92,;11.35,-51.25,;10.58,-52.59,;11.35,-53.92,;27.36,-51.25,;26.6,-49.92,;27.37,-48.59,;26.61,-47.26,;25.84,-48.58,;25.28,-46.49,;23.94,-47.26,;23.94,-48.8,;22.61,-46.49,;22.61,-44.95,;23.94,-44.18,;25.28,-44.95,;23.94,-42.64,;21.27,-47.26,;19.94,-46.49,;19.94,-44.95,;18.61,-47.26,;18.61,-48.8,;19.94,-49.57,;19.94,-51.11,;21.27,-48.8,;17.27,-46.49,;15.94,-47.26,;15.94,-48.8,;27.94,-46.49,;27.94,-44.95,;29.28,-47.26,;30.61,-46.49,;30.61,-44.95,;31.94,-44.18,;33.35,-44.81,;34.37,-43.67,;33.61,-42.34,;32.1,-42.66,;31.94,-47.26,;31.94,-48.8,;33.28,-46.49,;34.61,-47.26,;34.61,-48.8,;35.94,-49.57,;33.28,-49.57,;35.94,-46.49,;35.94,-44.95,;37.28,-47.26,;38.61,-46.49,;38.61,-44.95,;39.95,-44.18,;39.95,-42.64,;38.61,-41.87,;41.28,-41.87,;39.95,-47.26,;39.95,-48.8,;41.28,-46.49,;42.61,-47.26,;42.61,-48.8,;43.95,-49.57,;43.95,-51.11,;45.28,-51.88,;45.28,-53.42,;43.95,-54.19,;46.61,-54.19,;43.95,-46.49,;43.95,-44.95,;45.28,-47.26,;46.61,-46.49,;46.61,-44.95,;47.95,-44.18,;45.28,-44.18,;47.95,-47.26,;47.95,-48.8,;49.28,-46.49,;50.61,-47.26,;50.61,-48.8,;51.95,-49.57,;51.95,-51.11,;53.28,-51.88,;51.95,-46.49,;51.95,-44.95,;53.28,-47.26,;54.62,-46.49,;54.62,-44.95,;55.95,-44.18,;55.95,-42.64,;57.28,-41.87,;57.28,-40.33,;55.95,-47.26,;57.28,-46.49,;55.95,-48.8,;9.27,-46.49,;7.94,-47.26,;7.94,-48.8,;6.6,-46.49,;6.6,-44.95,;7.94,-44.18,;7.94,-42.64,;6.6,-41.87,;9.27,-41.87,;5.27,-47.26,;3.94,-46.49,;3.94,-44.95,;2.56,-47.19,;2.56,-48.74,;.9,-48.99,;.16,-47.49,;1.35,-46.3,;1.24,-44.77,;2.51,-43.9,;-.16,-44.1,;-.28,-42.56,;1.01,-41.7,;.89,-40.16,;2.39,-42.36,;-1.44,-44.97,;-2.82,-44.3,;-2.94,-42.76,;-4.1,-45.17,;-3.98,-46.7,;-2.58,-47.37,;-2.47,-48.91,;-3.74,-49.77,;-1.08,-49.57,;-5.48,-44.5,;-6.74,-45.37,;-6.64,-46.9,;-8.14,-44.7,;-9.4,-45.57,;-8.26,-43.16,;-6.98,-42.3,;-7.1,-40.76,;-8.48,-40.09,;-5.82,-39.89,)| Show InChI InChI=1S/C92H151N25O28S/c1-12-50(8)72-85(140)109-59(41-47(2)3)78(133)108-61(44-69(126)127)81(136)116-91(9,35-18-15-13-14-16-19-36-92(10,89(145)114-72)115-80(135)56(29-33-68(124)125)104-82(137)63-25-22-39-117(63)86(141)62(43-65(96)119)110-75(130)55(28-32-67(122)123)102-73(128)52(94)26-31-66(120)121)88(144)111-60(42-51-45-99-46-101-51)79(134)113-71(49(6)7)83(138)105-54(27-30-64(95)118)74(129)103-53(24-21-38-100-90(97)98)77(132)112-70(48(4)5)84(139)106-57(34-40-146-11)76(131)107-58(87(142)143)23-17-20-37-93/h13-14,45-50,52-63,70-72H,12,15-44,93-94H2,1-11H3,(H2,95,118)(H2,96,119)(H,99,101)(H,102,128)(H,103,129)(H,104,137)(H,105,138)(H,106,139)(H,107,131)(H,108,133)(H,109,140)(H,110,130)(H,111,144)(H,112,132)(H,113,134)(H,114,145)(H,115,135)(H,116,136)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,142,143)(H4,97,98,100)/b14-13-/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-,91-,92-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society
Curated by ChEMBL
| Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay |
Bioorg Med Chem 21: 4020-6 (2013)
Article DOI: 10.1016/j.bmc.2013.02.050
BindingDB Entry DOI: 10.7270/Q2BP046Z |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50407970
(CHEMBL5289023)Show SMILES OC(c1ccccn1)C(F)(F)C(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc12 Show InChI InChI=1S/C22H17ClF2N4O4/c23-14-8-9-18-16(11-14)29(12-13-5-1-2-7-17(13)33-18)21(32)28-27-20(31)22(24,25)19(30)15-6-3-4-10-26-15/h1-11,19,30H,12H2,(H,27,31)(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589364
(CHEMBL5186135)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSC=CCCSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)NCCC(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C |r,t:72| | 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 | n/a | 91 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50408054
(CHEMBL5289181)Show SMILES NC(=N)NCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1CCCCC1 Show InChI InChI=1S/C58H88N18O13S/c59-56(60)65-21-7-6-20-46(79)69-39(17-8-22-66-57(61)62)51(84)73-24-10-19-43(73)53(86)76-31-37(78)27-44(76)50(83)68-29-47(80)71-41(28-38-16-11-25-90-38)49(82)72-42(33-77)52(85)75-30-35-13-5-4-12-34(35)26-45(75)54(87)74(36-14-2-1-3-15-36)32-48(81)70-40(55(88)89)18-9-23-67-58(63)64/h4-5,11-13,16,25,36-37,39-45,77-78H,1-3,6-10,14-15,17-24,26-33H2,(H,68,83)(H,69,79)(H,70,81)(H,71,80)(H,72,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t37-,39-,40-,41-,42-,43+,44+,45+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity against bradykinin B2 receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589358
(CHEMBL5178520)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=N)C(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O |c:13| | 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 | n/a | 123 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589363
(CHEMBL5191201)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC2=O)C(C)C)C(C)C)[C@@H](C)O)C(C)C |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 | n/a | 156 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50408051
(CHEMBL5283735)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-c1ccccc1 Show InChI InChI=1S/C58H83N19O13S/c59-38(16-6-20-66-56(60)61)48(82)72-39(17-7-21-67-57(62)63)51(85)74-23-9-19-43(74)53(87)77-30-36(79)26-44(77)50(84)69-28-46(80)71-41(27-37-15-10-24-91-37)49(83)73-42(32-78)52(86)76-29-34-12-5-4-11-33(34)25-45(76)54(88)75(35-13-2-1-3-14-35)31-47(81)70-40(55(89)90)18-8-22-68-58(64)65/h1-5,10-15,24,36,38-45,78-79H,6-9,16-23,25-32,59H2,(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t36-,38+,39+,40+,41+,42+,43+,44+,45-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589361
(CHEMBL5181546)Show SMILES COC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 |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 | n/a | 420 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50509781
(CHEMBL4450852)Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C38H33ClF3N5O9/c39-24-7-12-27-23(17-24)18-30(44-27)36(54)46-29(16-20-5-6-21-3-1-2-4-22(21)15-20)35(53)47-31(19-33(50)51)37(55)45-28(13-14-32(48)49)34(52)43-25-8-10-26(11-9-25)56-38(40,41)42/h1-12,15,17-18,28-29,31,44H,13-14,16,19H2,(H,43,52)(H,45,55)(H,46,54)(H,47,53)(H,48,49)(H,50,51)/t28-,29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00228
BindingDB Entry DOI: 10.7270/Q2GQ72Q3 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50436058
(CHEMBL254381 | PNU-74654 | US9738628, Compound PNU...)Show InChI InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00228
BindingDB Entry DOI: 10.7270/Q2GQ72Q3 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50436058
(CHEMBL254381 | PNU-74654 | US9738628, Compound PNU...)Show InChI InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society
Curated by ChEMBL
| Assay Description
Inhibition of Tcf4 binding to beta-catenin (unknown origin) |
Bioorg Med Chem 21: 4020-6 (2013)
Article DOI: 10.1016/j.bmc.2013.02.050
BindingDB Entry DOI: 10.7270/Q2BP046Z |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50436058
(CHEMBL254381 | PNU-74654 | US9738628, Compound PNU...)Show InChI InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+ | PDB
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| n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50014132
(CHEMBL2323032)Show InChI InChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50014132
(CHEMBL2323032)Show InChI InChI=1S/C10H10N6O/c17-16-9-3-1-7(5-8(9)6-11-16)2-4-10-12-14-15-13-10/h1,3,5-6,17H,2,4H2,(H,12,13,14,15) | PDB
MMDB
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KEGG
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CHEMBL
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| n/a | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00228
BindingDB Entry DOI: 10.7270/Q2GQ72Q3 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50436057
(CHEMBL2397072)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:47.48,30.35,14.19,4.4,65.65,82.82,99.100,119.120,134.135,wD:38.44,23.22,8.10,2.2,57.57,73.73,92.93,108.109,126.127,(13.12,-22.59,;13.12,-24.13,;14.45,-24.9,;15.78,-24.13,;14.45,-26.44,;13.12,-27.21,;11.78,-26.44,;11.78,-24.9,;10.45,-27.21,;10.44,-28.75,;9.11,-29.51,;9.12,-26.44,;7.78,-27.21,;7.78,-28.75,;6.45,-26.44,;6.45,-24.9,;7.78,-24.13,;7.78,-22.59,;6.45,-21.82,;9.12,-21.82,;5.11,-27.21,;3.78,-26.44,;3.78,-24.9,;2.41,-27.14,;2.41,-28.69,;.75,-28.93,;0,-27.43,;1.2,-26.25,;1.08,-24.72,;2.35,-23.85,;-.32,-24.05,;-.43,-22.51,;.85,-21.65,;.74,-20.11,;2.24,-22.31,;-1.59,-24.92,;-2.98,-24.25,;-3.09,-22.71,;-4.25,-25.12,;-4.14,-26.65,;-2.74,-27.32,;-2.62,-28.86,;-3.9,-29.72,;-1.24,-29.52,;-5.64,-24.45,;-6.9,-25.32,;-6.8,-26.85,;-8.3,-24.65,;-9.56,-25.52,;-8.41,-23.11,;-7.14,-22.24,;-7.25,-20.71,;-8.63,-20.04,;-5.97,-19.84,;15.78,-27.21,;15.78,-28.75,;17.12,-26.44,;18.45,-27.21,;18.45,-28.75,;19.79,-29.52,;19.79,-31.06,;21.12,-28.75,;19.79,-26.44,;19.79,-24.9,;21.12,-27.21,;22.45,-26.44,;22.45,-24.9,;23.79,-24.13,;25.12,-24.9,;23.79,-22.59,;23.79,-27.21,;23.79,-28.75,;25.12,-26.44,;26.45,-27.21,;26.45,-28.75,;27.79,-29.52,;27.79,-31.06,;26.45,-31.83,;29.12,-31.83,;27.79,-26.44,;27.79,-24.9,;29.12,-27.21,;30.45,-26.44,;30.45,-24.9,;31.79,-24.13,;33.19,-24.76,;34.22,-23.62,;33.45,-22.29,;31.95,-22.6,;31.79,-27.21,;31.79,-28.75,;33.12,-26.44,;34.46,-27.21,;34.46,-28.75,;35.79,-29.52,;33.12,-29.52,;35.79,-26.44,;35.79,-24.9,;37.12,-27.21,;38.46,-26.44,;38.46,-24.9,;39.79,-24.13,;39.79,-22.59,;38.46,-21.82,;41.12,-21.82,;39.79,-27.21,;39.79,-28.75,;41.12,-26.44,;42.46,-27.21,;42.46,-28.75,;43.79,-29.52,;43.79,-31.06,;45.12,-31.83,;45.12,-33.37,;43.79,-34.14,;46.46,-34.14,;43.79,-26.44,;43.79,-24.9,;45.12,-27.21,;46.46,-26.44,;46.46,-24.9,;47.79,-24.13,;45.12,-24.13,;47.79,-27.21,;47.79,-28.75,;49.13,-26.44,;50.46,-27.21,;50.46,-28.75,;51.79,-29.52,;51.79,-31.06,;53.13,-31.83,;51.79,-26.44,;51.79,-24.9,;53.13,-27.21,;54.46,-26.44,;54.46,-24.9,;55.79,-24.13,;55.79,-22.59,;57.13,-21.82,;57.13,-20.28,;55.79,-27.21,;57.13,-26.44,;55.79,-28.75,)| Show InChI InChI=1S/C86H141N25O31S/c1-10-43(8)68(110-79(135)57(38-112)107-73(129)50(22-27-64(121)122)99-80(136)58-17-14-31-111(58)84(140)56(35-60(90)114)106-72(128)48(20-25-62(117)118)96-69(125)45(88)18-24-61(115)116)83(139)105-53(33-40(2)3)76(132)104-55(36-65(123)124)77(133)98-49(21-26-63(119)120)71(127)103-54(34-44-37-93-39-95-44)78(134)109-67(42(6)7)81(137)100-47(19-23-59(89)113)70(126)97-46(16-13-30-94-86(91)92)75(131)108-66(41(4)5)82(138)101-51(28-32-143-9)74(130)102-52(85(141)142)15-11-12-29-87/h37,39-43,45-58,66-68,112H,10-36,38,87-88H2,1-9H3,(H2,89,113)(H2,90,114)(H,93,95)(H,96,125)(H,97,126)(H,98,133)(H,99,136)(H,100,137)(H,101,138)(H,102,130)(H,103,127)(H,104,132)(H,105,139)(H,106,128)(H,107,129)(H,108,131)(H,109,134)(H,110,135)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,141,142)(H4,91,92,94)/t43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-/m0/s1 | PDB
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| CHEMBL
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PubMed
| n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society
Curated by ChEMBL
| Assay Description
Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay |
Bioorg Med Chem 21: 4020-6 (2013)
Article DOI: 10.1016/j.bmc.2013.02.050
BindingDB Entry DOI: 10.7270/Q2BP046Z |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50371232
(CARNOSIC ACID)Show SMILES CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)c2c(O)c1O |r| Show InChI InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1 | PDB
MMDB
NCI pathway
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MCE
PC cid
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| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00228
BindingDB Entry DOI: 10.7270/Q2GQ72Q3 |
More data for this
Ligand-Target Pair | |
Catenin beta-1
(Homo sapiens (Human)) | BDBM50589362
(CHEMBL5181203)Show SMILES CCc1ccc(OCc2nnc(SC3CCCC3=O)n2C(C)c2ccccc2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.80E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116920
BindingDB Entry DOI: 10.7270/Q2T157M8 |
More data for this
Ligand-Target Pair | |
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