Found 185 hits of kd for UniProtKB: P02768 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 |
|---|
Albumin
(Homo sapiens (Human)) | BDBM50611558
(CHEMBL5270477) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| UniChem
| | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575314
(CHEMBL4874500)Show SMILES OC(=O)[C@H](Cc1cccc(I)c1)NC(=O)c1cc2c(F)cccc2[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 | 20 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575311
(CHEMBL4875916)Show SMILES OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(F)cccc2[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 | 30 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50611553
(CHEMBL5270284) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50598309
(CHEMBL5204039)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CO)C(O)=O)NC(=O)[C@@H]1CCCN1 |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 | 39 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50598282
(CHEMBL5205331)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |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 | 39 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575312
(CHEMBL4852232)Show SMILES OC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)c1cc2c(F)cccc2[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 | 70 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50569289
(CHEBI:48398 | PYROPHEOPHORBIDE A)Show SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c4CC(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C |r| | 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 | 89 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin assessed as dissociation constant by fluorescence emission spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113382
BindingDB Entry DOI: 10.7270/Q2JS9V6Z |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50031640
(1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-d...)Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(O)=O)c2c1O |(15.33,-8.22,;16.66,-7.45,;18.01,-8.22,;16.66,-5.91,;18,-5.13,;19.34,-5.91,;17.98,-3.57,;19.32,-2.8,;16.65,-2.82,;16.63,-1.28,;15.3,-.52,;17.96,-.49,;15.31,-3.6,;13.99,-2.83,;14,-1.29,;12.65,-3.6,;12.65,-5.14,;11.32,-5.91,;13.99,-5.91,;15.31,-5.14,;7.49,-3.66,;7.49,-5.21,;8.83,-5.98,;6.16,-5.98,;4.82,-5.21,;3.48,-6,;3.5,-7.54,;4.82,-8.31,;2.16,-8.31,;2.16,-5.23,;.81,-6,;2.16,-3.69,;.81,-2.9,;3.48,-2.9,;3.48,-1.36,;4.81,-.59,;2.13,-.61,;4.82,-3.67,;6.14,-2.9,;6.14,-1.36,)| Show InChI InChI=1S/C30H30O10/c1-9(2)15-13-7-11(5)17(23(31)19(13)21(29(37)38)27(35)25(15)33)18-12(6)8-14-16(10(3)4)26(34)28(36)22(30(39)40)20(14)24(18)32/h7-10,31-36H,1-6H3,(H,37,38)(H,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a |
University of New Mexico School of Medicine
Curated by ChEMBL
| Assay Description
Compound was tested for binding activity to human serum albumin (HSA) |
J Med Chem 38: 2427-32 (1995)
BindingDB Entry DOI: 10.7270/Q2833R28 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50011360
(CHEMBL3260990)Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/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
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description
Displacement of dansylated phenylalanine from human serum albumin by fluorescence assay |
J Med Chem 62: 5063-5079 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00258
BindingDB Entry DOI: 10.7270/Q2988BF5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50611559
(CHEMBL5287247) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50598265
(CHEMBL5172861)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(N)=O |r,wU:22.21,35.35,47.48,154.161,166.174,175.183,103.108,wD:26.26,94.99,134.140,143.148,147.152,190.200,186.194,115.121,(-16.8,16.19,;-16.8,14.65,;-15.47,13.88,;-15.47,12.34,;-14.13,11.57,;-14.13,10.03,;-12.8,9.26,;-12.8,7.72,;-11.46,6.95,;-11.46,5.41,;-10.13,4.64,;-10.13,3.1,;-8.8,2.33,;-8.8,.79,;-7.46,.02,;-7.46,-1.52,;-6.13,-2.29,;-8.8,-2.29,;-8.8,-3.83,;-10.13,-4.6,;-10.13,-6.14,;-8.8,-6.91,;-8.8,-8.45,;-10.13,-9.22,;-11.46,-8.45,;-11.46,-6.91,;-12.8,-9.22,;-12.8,-10.76,;-11.46,-11.53,;-11.46,-13.07,;-10.13,-13.84,;-12.8,-13.84,;-14.13,-8.45,;-15.47,-9.22,;-15.47,-10.76,;-16.8,-8.45,;-16.8,-6.91,;-15.47,-6.14,;-14.13,-6.92,;-12.8,-6.14,;-12.8,-4.61,;-11.47,-3.84,;-14.13,-3.84,;-15.47,-4.6,;-18.13,-9.22,;-19.47,-8.45,;-19.47,-6.91,;-20.8,-9.22,;-22.13,-8.45,;-22.13,-6.91,;-23.47,-6.14,;-23.47,-4.6,;-24.8,-6.91,;-20.8,-10.76,;-22.13,-11.53,;-22.13,-13.07,;-23.47,-10.76,;-24.8,-11.53,;-26.13,-10.76,;-27.47,-11.53,;-28.8,-10.76,;-30.13,-11.53,;-31.47,-10.76,;-32.8,-11.53,;-34.14,-10.76,;-35.47,-11.53,;-34.14,-9.22,;-35.47,-8.45,;-35.47,-6.92,;-34.13,-6.15,;-32.81,-6.91,;-32.81,-8.45,;-31.32,-6.51,;-30.23,-7.6,;-30.92,-5.02,;-34.13,-4.61,;-35.47,-3.84,;-36.79,-4.6,;-38.13,-3.83,;-38.13,-2.3,;-39.46,-1.54,;-36.8,-1.53,;-35.47,-2.3,;-34.13,-1.53,;-32.79,-2.3,;-31.48,-1.52,;-30.14,-2.28,;-28.81,-1.51,;-30.14,-3.81,;-31.45,-4.6,;-32.79,-3.83,;-7.46,-9.22,;-7.46,-10.76,;-6.13,-8.45,;-4.8,-9.22,;-4.8,-10.76,;-3.46,-11.53,;-3.46,-13.07,;-2.13,-13.84,;-4.8,-13.84,;-3.46,-8.45,;-3.46,-6.91,;-2.13,-9.22,;-.8,-8.45,;-.8,-6.91,;.54,-6.14,;1.88,-6.92,;3.2,-6.14,;3.2,-4.61,;4.54,-3.84,;1.87,-3.84,;.54,-4.6,;.54,-9.22,;.54,-10.76,;1.87,-8.45,;3.21,-9.22,;3.21,-10.76,;4.54,-11.53,;4.54,-13.07,;5.87,-13.84,;3.21,-13.84,;4.54,-8.45,;4.54,-6.91,;5.87,-9.22,;7.21,-8.45,;8.54,-9.22,;9.87,-8.45,;11.21,-9.22,;12.54,-8.45,;14.09,-9.32,;15.43,-8.55,;16.76,-9.32,;16.76,-10.86,;18.09,-8.55,;19.43,-9.32,;19.43,-10.86,;20.77,-11.64,;20.77,-13.18,;22.1,-13.94,;22.1,-15.49,;25.3,-13.5,;26.08,-12.17,;27.62,-12.17,;28.39,-13.52,;29.93,-13.52,;30.71,-12.19,;32.25,-12.19,;29.95,-10.87,;28.44,-11.19,;27.67,-9.85,;28.71,-8.71,;30.11,-9.32,;31.45,-8.55,;32.78,-9.32,;31.45,-7.01,;32.78,-6.24,;34.12,-7.01,;35.45,-6.24,;36.78,-7,;36.78,-8.55,;38.13,-9.32,;35.45,-9.32,;34.12,-8.55,;30.11,-6.24,;30.11,-4.7,;31.45,-3.93,;28.78,-3.93,;28.78,-2.39,;30.11,-1.61,;30.11,-.07,;31.45,.7,;28.78,.7,;27.44,-4.7,;26.11,-3.93,;26.11,-2.39,;24.77,-4.7,;23.43,-3.93,;23.43,-2.39,;22.1,-1.61,;22.1,-.07,;20.77,.7,;20.77,2.24,;19.43,-.07,;24.77,-6.24,;23.43,-7.01,;22.1,-6.24,;23.43,-8.55,;22.1,-9.32,;20.77,-8.55,;20.77,-7.01,;24.77,-9.32,;24.77,-10.86,;26.11,-8.55,;27.61,-14.85,;26.06,-14.85,;28.37,-16.19,)| | 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 | 118 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50598266
(CHEMBL5203652)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)NCC(N)=O |r,wU:103.108,22.21,35.35,164.169,206.214,191.197,182.188,171.177,165.172,wD:138.143,115.121,47.48,26.26,94.99,146.152,155.160,(-10,15.01,;-10,13.47,;-8.67,12.71,;-8.67,11.17,;-7.34,10.39,;-7.34,8.85,;-6,8.09,;-6,6.54,;-4.67,5.77,;-4.67,4.23,;-3.33,3.46,;-3.33,1.92,;-2,1.15,;-2,-.38,;-.67,-1.15,;-.67,-2.69,;-2,-3.46,;.67,-3.46,;.67,-5,;2,-5.77,;2,-7.31,;3.33,-8.09,;3.33,-9.63,;2,-10.39,;.67,-9.63,;.67,-8.09,;-.67,-10.39,;-.67,-11.93,;.67,-12.71,;.67,-14.25,;2,-15.01,;-.67,-15.01,;-2,-9.63,;-3.33,-10.39,;-3.33,-11.93,;-4.67,-9.63,;-4.67,-8.09,;-6,-7.31,;-7.34,-8.08,;-8.66,-7.31,;-8.66,-5.77,;-10,-5.01,;-7.34,-5.01,;-6,-5.77,;-6,-10.39,;-7.34,-9.63,;-6.57,-8.29,;-8.67,-10.39,;-8.67,-11.93,;-7.34,-12.71,;-7.34,-14.25,;-6,-15.01,;-8.67,-15.01,;-10,-9.63,;-11.34,-10.39,;-11.34,-11.93,;-12.67,-9.63,;-14,-10.39,;-15.34,-9.63,;-16.67,-10.39,;-18.01,-9.63,;-19.34,-10.39,;-20.67,-9.63,;-22.01,-10.39,;-23.34,-9.63,;-24.68,-10.39,;-23.34,-8.09,;-24.67,-7.31,;-24.67,-5.78,;-23.34,-5.01,;-22.01,-5.77,;-22.01,-7.31,;-20.52,-5.37,;-19.43,-6.46,;-20.12,-3.89,;-23.34,-3.47,;-24.67,-2.7,;-26,-3.47,;-27.34,-2.69,;-27.34,-1.16,;-28.67,-.39,;-26.01,-.39,;-24.67,-1.16,;-23.34,-.39,;-22.01,-1.16,;-20.67,-.39,;-19.34,-1.16,;-18.01,-.39,;-19.34,-2.69,;-20.67,-3.47,;-22.01,-2.7,;4.67,-10.39,;4.67,-11.93,;6,-9.63,;7.33,-10.39,;7.33,-11.93,;8.67,-12.71,;8.67,-14.25,;10,-15.01,;7.33,-15.01,;8.67,-9.63,;8.67,-8.09,;10,-10.39,;11.34,-9.63,;11.34,-8.09,;12.67,-7.31,;12.67,-5.77,;14,-5.01,;15.33,-5.78,;16.67,-5.01,;15.33,-7.31,;14.01,-8.09,;12.67,-10.39,;12.67,-11.93,;14,-9.63,;15.34,-10.39,;15.34,-11.93,;16.67,-12.71,;16.67,-14.25,;15.34,-15.01,;18,-15.01,;16.67,-9.63,;18,-10.39,;16.67,-8.09,;18,-7.31,;19.34,-8.09,;20.67,-7.31,;22.01,-8.09,;23.34,-7.31,;24.67,-8.09,;26.01,-7.31,;26.01,-5.77,;27.34,-5,;24.67,-5,;24.67,-3.46,;23.34,-2.69,;23.34,-1.15,;22.01,-.38,;22.01,1.15,;20.67,1.92,;19.34,1.15,;19.34,-.38,;18,1.92,;16.67,1.15,;15.34,1.92,;15.34,3.46,;14,1.15,;14,-.38,;12.67,-1.15,;12.67,-2.69,;11.34,-3.46,;11.34,-5,;10,-2.69,;10,-1.15,;8.67,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;6,-5,;4.67,-5.77,;6,-.38,;4.67,-1.15,;6,1.15,;4.67,1.92,;3.33,1.15,;3.33,-.38,;2,1.92,;4.67,3.46,;3.33,4.23,;6,4.23,;6,5.77,;4.67,6.54,;4.67,8.09,;3.33,8.85,;3.33,10.39,;2,11.17,;2,12.71,;.67,10.39,;7.33,6.54,;8.67,5.77,;7.33,8.09,;8.67,8.85,;8.67,10.39,;10,11.17,;10,12.71,;8.67,13.47,;11.34,13.47,;10,8.09,;10,6.54,;11.34,8.85,;12.67,8.09,;14,8.85,;14,10.39,;12.67,11.17,;12.67,12.7,;14.01,13.47,;14.01,15.01,;15.33,12.71,;15.33,11.17,;12.67,6.54,;11.34,5.77,;14,5.77,;15.41,6.4,;16.44,5.26,;15.67,3.92,;14.16,4.24,;12.78,3.42,;11.46,4.21,;12.78,1.88,;23.34,1.92,;23.34,3.46,;24.67,1.15,;26.01,1.92,;27.34,1.15,;28.67,1.92,;27.34,-.38,)| | 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 | 119 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50598288
(CHEMBL5204199)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCC(N)=O |r,wU:200.208,195.203,187.195,175.182,167.174,159.164,103.108,22.21,35.35,wD:155.160,146.152,138.143,115.121,47.48,26.26,94.99,(-10,15.01,;-10,13.48,;-8.67,12.71,;-8.67,11.17,;-7.34,10.4,;-7.34,8.86,;-6,8.09,;-6,6.54,;-4.67,5.78,;-4.67,4.24,;-3.33,3.46,;-3.33,1.92,;-2,1.16,;-2,-.38,;-.67,-1.15,;-.67,-2.69,;-2,-3.46,;.67,-3.46,;.67,-5,;2,-5.78,;2,-7.31,;3.33,-8.09,;3.33,-9.63,;2,-10.4,;.67,-9.63,;.67,-8.09,;-.67,-10.4,;-.67,-11.94,;.67,-12.71,;.67,-14.25,;2,-15.01,;-.67,-15.01,;-2,-9.63,;-3.33,-10.4,;-3.33,-11.94,;-4.67,-9.63,;-4.67,-8.09,;-6,-7.31,;-6,-5.77,;-7.34,-5.01,;-8.67,-5.78,;-10,-5.01,;-8.67,-7.32,;-7.34,-8.08,;-6,-10.4,;-7.34,-9.63,;-6.57,-8.29,;-8.67,-10.4,;-8.67,-11.94,;-7.34,-12.71,;-7.34,-14.25,;-6,-15.01,;-8.67,-15.01,;-10,-9.63,;-11.34,-10.4,;-11.34,-11.94,;-12.67,-9.63,;-14,-10.4,;-15.34,-9.63,;-16.67,-10.4,;-18.01,-9.63,;-19.34,-10.4,;-20.67,-9.63,;-22.01,-10.4,;-23.34,-9.63,;-24.67,-10.4,;-23.34,-8.09,;-24.67,-7.31,;-24.67,-5.78,;-23.34,-5.01,;-22.01,-5.77,;-22.01,-7.31,;-20.52,-5.37,;-19.43,-6.46,;-20.12,-3.89,;-23.34,-3.47,;-24.67,-2.7,;-26,-3.47,;-27.34,-2.7,;-27.34,-1.16,;-28.67,-.39,;-26.01,-.39,;-24.67,-1.16,;-23.34,-.39,;-22,-1.16,;-20.67,-.39,;-19.34,-1.16,;-18.01,-.39,;-19.34,-2.69,;-20.67,-3.47,;-22,-2.7,;4.67,-10.4,;4.67,-11.94,;6,-9.63,;7.33,-10.4,;7.33,-11.94,;8.67,-12.71,;8.67,-14.25,;10,-15.01,;7.33,-15.01,;8.67,-9.63,;8.67,-8.09,;10,-10.4,;11.34,-9.63,;11.34,-8.09,;12.67,-7.31,;12.67,-5.77,;14,-5.01,;15.33,-5.78,;16.67,-5.01,;15.33,-7.31,;14.01,-8.09,;12.67,-10.4,;12.67,-11.94,;14,-9.63,;15.34,-10.4,;15.34,-11.94,;16.67,-12.71,;16.67,-14.25,;15.34,-15.01,;18,-15.01,;16.67,-9.63,;18,-10.4,;16.67,-8.09,;18,-7.31,;19.34,-8.09,;20.67,-7.31,;22.01,-8.09,;23.34,-7.31,;24.67,-8.09,;26.01,-7.31,;26.01,-5.78,;27.34,-5,;24.67,-5,;24.67,-3.46,;23.34,-2.69,;23.34,-1.15,;22.01,-.38,;22.01,1.16,;20.67,1.92,;19.34,1.16,;19.34,-.38,;18,1.92,;16.67,1.16,;15.34,1.92,;15.34,3.46,;14,1.16,;14,-.38,;12.67,-1.15,;12.67,-2.69,;11.34,-3.46,;11.34,-5,;10,-2.69,;10,-1.15,;8.67,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;6,-5,;4.76,-5.91,;5.23,-7.37,;6.77,-7.37,;7.25,-5.91,;6,-.38,;4.67,-1.15,;6,1.16,;4.67,1.92,;3.33,1.16,;2,1.92,;2,3.46,;.67,1.16,;4.67,3.46,;3.33,4.24,;6,4.24,;6,5.78,;4.67,6.54,;4.67,8.09,;6.01,8.86,;6.01,10.4,;4.67,11.16,;4.67,12.7,;3.33,10.39,;3.33,8.86,;7.33,6.54,;8.67,5.78,;7.33,8.09,;8.67,8.86,;8.67,10.4,;10,11.17,;10,12.71,;11.34,10.39,;10,8.09,;10,6.54,;11.34,8.86,;12.67,8.09,;14,8.86,;12.67,6.54,;11.34,5.78,;14,5.78,;14.16,4.24,;15.65,4.64,;16.05,6.13,;17.54,6.53,;17.94,8.02,;19.42,8.41,;19.82,9.9,;20.51,7.33,;12.67,3.46,;11.34,4.24,;12.67,1.92,;23.34,1.92,;23.34,3.46,;24.67,1.16,;26.01,1.92,;27.34,1.16,;28.67,1.92,;27.34,-.38,)| | 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 | 164 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50598287
(CHEMBL5183937)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r,wU:35.35,22.21,103.108,154.161,165.172,170.177,178.185,190.198,47.48,201.210,wD:137.144,150.156,141.148,115.121,94.99,26.26,(-13.96,15.01,;-13.96,13.47,;-12.63,12.7,;-12.63,11.16,;-11.29,10.39,;-11.29,8.85,;-9.96,8.08,;-9.96,6.54,;-8.62,5.77,;-8.62,4.23,;-7.29,3.46,;-7.29,1.92,;-5.96,1.15,;-5.96,-.38,;-4.62,-1.15,;-4.62,-2.69,;-3.29,-3.46,;-5.96,-3.46,;-5.96,-5,;-7.29,-5.77,;-7.29,-7.31,;-5.96,-8.08,;-5.96,-9.62,;-7.29,-10.39,;-8.62,-9.62,;-8.62,-8.08,;-9.96,-10.39,;-9.96,-11.93,;-8.62,-12.7,;-8.62,-14.24,;-7.29,-15.01,;-9.96,-15.01,;-11.29,-9.62,;-12.63,-10.39,;-12.63,-11.93,;-13.96,-9.62,;-13.96,-8.08,;-12.63,-7.31,;-12.63,-5.77,;-11.29,-5.01,;-9.96,-5.78,;-8.63,-5.01,;-9.96,-7.31,;-11.29,-8.09,;-15.29,-10.39,;-16.63,-9.62,;-16.63,-8.08,;-17.96,-10.39,;-19.29,-9.62,;-19.29,-8.08,;-20.63,-7.31,;-20.63,-5.77,;-21.96,-8.08,;-17.96,-11.93,;-19.29,-12.7,;-19.29,-14.24,;-20.63,-11.93,;-21.96,-12.7,;-23.29,-11.93,;-24.63,-12.7,;-25.96,-11.93,;-27.3,-12.7,;-28.63,-11.93,;-29.96,-12.7,;-31.3,-11.93,;-32.63,-12.7,;-31.3,-10.39,;-32.63,-9.62,;-32.63,-8.09,;-31.3,-7.32,;-29.97,-8.08,;-29.97,-9.62,;-28.48,-7.68,;-27.39,-8.77,;-28.08,-6.2,;-31.3,-5.78,;-32.63,-5.01,;-33.96,-5.77,;-35.29,-5,;-35.29,-3.48,;-36.62,-2.71,;-33.96,-2.7,;-32.63,-3.47,;-31.29,-2.7,;-29.96,-3.47,;-28.64,-2.69,;-27.3,-3.45,;-25.97,-2.68,;-27.3,-4.99,;-28.61,-5.77,;-29.96,-5.01,;-4.62,-10.39,;-4.62,-11.93,;-3.29,-9.62,;-1.96,-10.39,;-1.96,-11.93,;-.62,-12.7,;-.62,-14.24,;.71,-15.01,;-1.96,-15.01,;-.62,-9.62,;-.62,-8.08,;.71,-10.39,;2.04,-9.62,;2.04,-8.08,;3.38,-7.31,;3.38,-5.77,;4.71,-5.01,;6.04,-5.78,;7.38,-5.01,;6.04,-7.31,;4.72,-8.09,;3.38,-10.39,;3.38,-11.93,;4.71,-9.62,;6.05,-10.39,;6.05,-11.93,;7.38,-12.7,;7.38,-14.24,;8.71,-15.01,;6.05,-15.01,;7.38,-9.62,;7.38,-8.08,;8.71,-10.39,;10.05,-9.62,;11.38,-10.39,;12.71,-9.62,;14.05,-10.39,;15.38,-9.62,;16.93,-10.49,;18.27,-9.72,;19.6,-10.49,;19.6,-12.04,;20.71,-10.07,;21.18,-11.54,;22.72,-11.54,;23.2,-10.07,;21.95,-9.17,;21.95,-7.63,;20.62,-6.86,;23.29,-6.86,;23.29,-5.32,;24.62,-4.55,;25.95,-5.32,;25.95,-6.86,;27.29,-7.63,;27.29,-9.17,;28.62,-6.86,;28.62,-5.32,;29.95,-4.55,;29.95,-3.01,;28.62,-2.24,;28.62,-.7,;27.29,.07,;30.11,.08,;31.6,.48,;32,1.96,;33.49,2.36,;33.89,3.85,;35.37,4.25,;35.77,5.74,;36.46,3.16,;29.95,1.61,;28.62,2.38,;27.29,1.61,;28.62,3.92,;29.95,4.69,;27.29,4.69,;25.95,3.92,;25.95,2.38,;24.62,4.69,;24.62,6.23,;25.95,7,;25.95,8.54,;27.29,6.23,;23.29,3.92,;23.29,2.38,;24.62,1.61,;21.95,1.61,;20.62,2.38,;20.62,3.92,;21.96,4.69,;21.96,6.23,;20.62,7,;20.62,8.54,;19.29,6.23,;19.29,4.69,;21.95,.07,;20.62,-.7,;19.28,.07,;20.62,-2.24,;19.28,-3.01,;17.95,-2.24,;17.95,-.7,;16.62,-3.01,;21.95,-3.01,;21.95,-4.55,;20.62,-5.32,;31.29,-2.24,;31.29,-.7,;32.62,-3.01,;33.95,-2.24,;33.95,-.7,;35.29,.07,;35.29,-3.01,;36.62,-2.24,;35.29,-4.55,)| | 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 | 168 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50611554
(CHEMBL5275396) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575317
(CHEMBL4845813)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2ccc(F)cc2[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 | 170 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575318
(CHEMBL4870031)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2cccc(F)c2[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 | 210 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575305
(CHEMBL4866037)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[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 | 220 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50011360
(CHEMBL3260990)Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/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
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
University Health Network
Curated by ChEMBL
| Assay Description
Displacement of dansylated arginine from human serum albumin by fluorescence assay |
J Med Chem 62: 5063-5079 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00258
BindingDB Entry DOI: 10.7270/Q2988BF5 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50584214
(CHEMBL5082399)Show SMILES OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wD:3.3,(-0,-3.08,;-0,-1.54,;1.33,-.77,;-1.33,-.77,;-1.33,.77,;-0,1.54,;-0,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.7,;4,5.39,;5.33,6.16,;6.67,5.39,;8,6.16,;8,7.7,;9.33,8.47,;10.67,7.7,;12,8.47,;10.67,6.17,;9.34,5.39,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.34,-1.54,;-6.66,-.77,;-8,-1.54,;-8,-3.08,;-9.33,-3.85,;-9.73,-5.34,;-10.67,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-6.67,-5.39,;-5.33,-6.16,;-4,-5.39,;-2.67,-6.16,;-2.67,-7.69,;-1.33,-8.46,;-3.99,-8.47,;-5.33,-7.7,;-6.67,-8.47,;-8,-7.7,;-9.33,-8.47,;-10.67,-7.7,;-12,-8.47,;-10.67,-6.16,;-9.33,-5.39,;-8,-6.16,)| | 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 | 230 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin assessed as dissociation constant using N-alpha-(6-FAM)-N-epsilon-(4-Iodophenylbutanoyl)-D-lysine as substrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01791
BindingDB Entry DOI: 10.7270/Q2DN48XT |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575316
(CHEMBL4866759)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2cc(F)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 | 270 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50135926
(2-({3-[(E)-2-(4-Isopropyl-thiazol-2-yl)-vinyl]-phe...)Show SMILES CC(C)c1csc(\C=C\c2cccc(NC(=O)Cc3ccccc3C(O)=O)c2)n1 Show InChI InChI=1S/C23H22N2O3S/c1-15(2)20-14-29-22(25-20)11-10-16-6-5-8-18(12-16)24-21(26)13-17-7-3-4-9-19(17)23(27)28/h3-12,14-15H,13H2,1-2H3,(H,24,26)(H,27,28)/b11-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Daiichi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Protein binding affinity for human serum albumin was measured |
Bioorg Med Chem Lett 13: 4205-8 (2003)
BindingDB Entry DOI: 10.7270/Q2RF5TFK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575304
(CHEMBL4877313)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[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 | 290 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575309
(CHEMBL4856339)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)c1cc2c(F)cccc2[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 | 310 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50399329
(CHEMBL2180871)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N[C@@H](CCCCN)C(=O)NCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r,wU:16.23,4.4,53.52,62.62,69.68,107.113,82.82,74.125,125.128,133.136,156.161,wD:8.12,2.2,44.43,61.60,114.117,96.98,147.152,164.169,25.24,(24.08,-16.61,;23.75,-18.12,;24.91,-19.14,;26.37,-18.67,;24.58,-20.65,;23.12,-21.12,;21.98,-20.09,;22.29,-18.58,;20.51,-20.57,;20.19,-22.07,;21.33,-23.1,;21.01,-24.61,;22.8,-22.63,;19.37,-19.53,;17.9,-20.01,;17.59,-21.51,;16.76,-18.98,;17.08,-17.48,;18.54,-16.99,;18.87,-15.49,;20.33,-15.02,;20.65,-13.52,;19.5,-12.48,;22.12,-13.04,;15.29,-19.46,;14.15,-18.43,;14.47,-16.92,;15.92,-16.44,;16.24,-14.94,;15.1,-13.91,;15.41,-12.41,;12.69,-18.9,;12.37,-20.41,;11.54,-17.88,;10.08,-18.36,;8.93,-17.33,;7.47,-17.81,;6.32,-16.79,;4.86,-17.26,;3.77,-16.17,;2.68,-15.08,;25.72,-21.68,;25.4,-23.18,;27.19,-21.2,;28.33,-22.23,;28.01,-23.73,;29.16,-24.77,;28.84,-26.27,;27.37,-26.74,;29.98,-27.31,;29.8,-21.75,;30.12,-20.25,;30.93,-22.79,;32.4,-22.31,;32.72,-20.81,;34.19,-20.34,;35.33,-21.36,;34.51,-18.83,;33.55,-23.34,;33.22,-24.84,;35.01,-22.87,;36.15,-23.9,;35.83,-25.41,;36.98,-26.43,;34.37,-25.88,;34.05,-27.38,;37.61,-23.42,;37.94,-21.92,;38.76,-24.45,;40.22,-23.98,;40.55,-22.47,;39.4,-21.44,;41.24,-11.03,;42.57,-11.81,;43.91,-11.04,;45.25,-11.83,;45.23,-13.36,;43.89,-14.12,;46.56,-14.14,;46.55,-15.67,;47.88,-16.46,;49.22,-15.69,;47.87,-18,;46.44,-18.56,;45.23,-17.6,;45.29,-16.07,;43.86,-15.53,;42.9,-16.73,;41.36,-16.83,;40.66,-18.2,;41.52,-19.49,;43.06,-19.39,;43.75,-18.01,;49.07,-18.95,;48.85,-20.47,;47.42,-21.04,;50.06,-21.43,;51.48,-20.87,;51.71,-19.34,;53.14,-18.78,;53.37,-17.26,;54.8,-16.7,;56,-17.65,;55.03,-15.17,;49.82,-22.96,;48.5,-23.73,;48.5,-25.26,;47.17,-22.96,;47.01,-21.42,;45.5,-21.11,;44.74,-22.44,;45.76,-23.58,;45.45,-25.09,;46.59,-26.12,;43.98,-25.57,;43.66,-27.06,;44.8,-28.1,;44.48,-29.6,;46.26,-27.63,;42.83,-24.53,;41.36,-25.01,;41.05,-26.51,;43.92,-9.5,;45.26,-8.74,;42.59,-8.73,;42.61,-7.19,;41.28,-6.41,;39.93,-7.17,;38.61,-6.4,;39.93,-8.72,;43.94,-6.42,;43.95,-4.89,;45.27,-7.21,;46.61,-6.44,;46.62,-4.9,;47.95,-4.15,;49.35,-4.77,;50.39,-3.64,;49.63,-2.3,;50.12,-.85,;49.09,.31,;47.58,-.02,;47.09,-1.46,;48.12,-2.62,;47.93,-7.22,;47.93,-8.76,;49.27,-6.45,;50.6,-7.24,;50.59,-8.78,;51.91,-9.55,;51.91,-11.09,;53.24,-11.87,;50.57,-11.86,;51.94,-6.47,;51.94,-4.93,;53.27,-7.26,;54.6,-6.49,;54.61,-4.95,;55.95,-4.19,;57.28,-4.97,;55.96,-2.66,;55.93,-7.27,;55.92,-8.81,;57.27,-6.5,;58.6,-7.28,;58.59,-8.83,;59.91,-9.59,;59.91,-11.14,;61.25,-8.84,;59.93,-6.52,;61.26,-7.3,;59.94,-4.98,)| Show InChI InChI=1S/C109H167N31O30S2/c1-11-58(9)88(137-99(161)72(43-56(5)6)128-92(154)67(29-21-38-117-108(111)112)123-66(28-17-18-36-110)90(152)116-37-19-20-40-122-139-115)104(166)127-70(33-35-84(144)145)95(157)133-76(48-86(148)149)100(162)138-89(59(10)12-2)105(167)136-80-54-172-171-53-79(124-82(141)52-121-91(153)73(45-60-50-119-64-26-15-13-24-62(60)64)130-93(155)68(30-22-39-118-109(113)114)126-103(165)81-31-23-41-140(81)106(168)77(44-57(7)8)134-102(80)164)101(163)129-71(42-55(3)4)96(158)131-74(46-61-51-120-65-27-16-14-25-63(61)65)97(159)125-69(32-34-83(142)143)94(156)132-75(47-85(146)147)98(160)135-78(107(169)170)49-87(150)151/h13-16,24-27,50-51,55-59,66-81,88-89,119-120,123H,11-12,17-23,28-49,52-54,110H2,1-10H3,(H,116,152)(H,121,153)(H,124,141)(H,125,159)(H,126,165)(H,127,166)(H,128,154)(H,129,163)(H,130,155)(H,131,158)(H,132,156)(H,133,157)(H,134,164)(H,135,160)(H,136,167)(H,137,161)(H,138,162)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,111,112,117)(H4,113,114,118)/t58-,59-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,88-,89-/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
| Article
PubMed
| n/a | n/a | n/a | 321 | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
J Med Chem 55: 10187-97 (2012)
Article DOI: 10.1021/jm301276e
BindingDB Entry DOI: 10.7270/Q25140CZ |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50611559
(CHEMBL5287247) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50584207
(CHEMBL5091083)Show SMILES OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(cc1)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 | 340 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin assessed as dissociation constant and measured after 5 mins by fluorescence based competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01791
BindingDB Entry DOI: 10.7270/Q2DN48XT |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50584199
(CHEMBL5093073)Show SMILES OC(=O)[C@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |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 | 360 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin assessed as dissociation constant and measured after 5 mins by fluorescence based competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01791
BindingDB Entry DOI: 10.7270/Q2DN48XT |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50569288
(CHEMBL4850435)Show SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H]4C)c4CC(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=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 | 363 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin assessed as dissociation constant by fluorescence emission spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113382
BindingDB Entry DOI: 10.7270/Q2JS9V6Z |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50271238
(6-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}...)Show InChI InChI=1S/C20H22O5/c21-17-12-16(13-18(22)14-17)6-5-15-7-9-19(10-8-15)25-11-3-1-2-4-20(23)24/h5-10,12-14,21-22H,1-4,11H2,(H,23,24)/b6-5+ | 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 | 382 | n/a | n/a | n/a | n/a | n/a |
East Tennessee State University
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin at 4 uM by UV-vis measurement |
Bioorg Med Chem 16: 6406-14 (2008)
Article DOI: 10.1016/j.bmc.2008.05.002
BindingDB Entry DOI: 10.7270/Q2416WVF |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575319
(CHEMBL4869829)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2ccccc2[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 | 390 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50215044
(5-cyano-2-(2-(1-methyl-1H-indol-2-yl)vinyl)benzoic...)Show InChI InChI=1S/C19H14N2O2/c1-21-16(11-15-4-2-3-5-18(15)21)9-8-14-7-6-13(12-20)10-17(14)19(22)23/h2-11H,1H3,(H,22,23)/b9-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Binding affinity at human serum albumin |
Bioorg Med Chem Lett 17: 4646-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.077
BindingDB Entry DOI: 10.7270/Q2N01662 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50223891
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin by equilibrium dialysis |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575310
(CHEMBL4879282)Show SMILES COc1ccc(C[C@H](NC(=O)c2cc3c(F)cccc3[nH]2)C(O)=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50611557
(CHEMBL5267643) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| UniChem
| | n/a | n/a | n/a | 467 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575307
(CHEMBL4873867)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM23208
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 593 | n/a | n/a | n/a | n/a | n/a |
Mercer University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin with excitation at 285 nm by fluorescence emission spectroscopic analysis |
Bioorg Med Chem Lett 25: 3168-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50031636
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)Show InChI InChI=1S/C15H16O3/c1-8(2)13-11-6-9(3)4-5-10(11)12(7-16)14(17)15(13)18/h4-8,17-18H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a |
University of New Mexico School of Medicine
Curated by ChEMBL
| Assay Description
Compound was tested for binding activity to human serum albumin (HSA) |
J Med Chem 38: 2427-32 (1995)
BindingDB Entry DOI: 10.7270/Q2833R28 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC cid
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin |
J Med Chem 60: 7434-7446 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Albumin
(Homo sapiens (Human)) | BDBM50209511
(5-cyano-2-(2-(3-(2-methoxyethoxy)propylthio)nicoti...)Show SMILES COCCOCCCSc1ccc(cn1)C(=O)Nc1ccc(cc1C(O)=O)C#N Show InChI InChI=1S/C20H21N3O5S/c1-27-8-9-28-7-2-10-29-18-6-4-15(13-22-18)19(24)23-17-5-3-14(12-21)11-16(17)20(25)26/h3-6,11,13H,2,7-10H2,1H3,(H,23,24)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin |
Bioorg Med Chem Lett 17: 3113-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SJ1K88 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50125289
((S)-3-[3'-(3-Cyclopropyl-ureido)-biphenyl-4-yl]-2-...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O Show InChI InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin by equilibrium dialysis |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575306
(CHEMBL4855828)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(Br)c1)NC(=O)c1cc2c(F)cccc2[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 | 780 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575315
(CHEMBL4870525)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1c[nH]c2cccc(F)c12 |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 | 820 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50298204
(6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)s1 Show InChI InChI=1S/C22H29IN6O7S2/c23-15-9-7-14(8-10-15)4-3-6-17(30)25-13-2-1-5-16(20(33)34)26-18(31)11-12-19(32)27-21-28-29-22(37-21)38(24,35)36/h7-10,16H,1-6,11-13H2,(H,25,30)(H,26,31)(H,33,34)(H2,24,35,36)(H,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to HSA by isothermal titration calorimetry |
Bioorg Med Chem Lett 19: 4851-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.022
BindingDB Entry DOI: 10.7270/Q298871J |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50575320
(CHEMBL4863588)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2o1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50031641
(6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2cc(c(C)cc12)-c1cc2c(C=O)c(O)c(O)c(C(C)C)c2cc1C Show InChI InChI=1S/C30H30O6/c1-13(2)25-21-7-15(5)17(9-19(21)23(11-31)27(33)29(25)35)18-10-20-22(8-16(18)6)26(14(3)4)30(36)28(34)24(20)12-32/h7-14,33-36H,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of New Mexico School of Medicine
Curated by ChEMBL
| Assay Description
Compound was tested for binding activity to human serum albumin (HSA) |
J Med Chem 38: 2427-32 (1995)
BindingDB Entry DOI: 10.7270/Q2833R28 |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50584198
(CHEMBL5078842)Show SMILES OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(cc1)N=[N+]=[N-] |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human serum albumin assessed as dissociation constant and measured after 5 mins by fluorescence based competition assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01791
BindingDB Entry DOI: 10.7270/Q2DN48XT |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
MMDB
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PC cid
PC sid
PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin by PAMPA method |
J Med Chem 51: 2009-17 (2008)
Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Albumin
(Homo sapiens (Human)) | BDBM23208
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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CHEMBL
MCE
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Mercer University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin with excitation at 295 nm after 30 mins by fluorescence spectrophotometric analysis |
Bioorg Med Chem Lett 25: 3168-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0 |
More data for this
Ligand-Target Pair | |
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