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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Chemical Structure
Batch Structures
Name
SMILES
Number of Data
/
Targets
Data Source
Author
Institution
PubMed
PubChem BioAssay
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Virtual Screening
Forum
Enter Data
ITC
Enzyme Inhibition
Continue Deposition
Sent Comments
Seach by S (Isothermal Titration Calorimetry)
< -ΔTS° <
Energy Unit:
kcal/mole
kJ/mole
2S-ScamLA
[
1
]
HIV-1 Protease B Subtype Mutant (V82F/I84V)
[
5
]
3S-ScamLA
[
1
]
HIV-1 Protease C Subtype
[
5
]
Ab N1G9
[
4
]
HIV-1 Protease C Subtype Mutant (V82F/I84V)
[
5
]
Acetate Operon Repressor (C-IclR)
[
2
]
HIV-1 Protease Mutant (L10I/L90M)
[
9
]
Acetate Operon Repressor (IclR)
[
1
]
HIV-1 Protease Mutant (M46I/I54V)
[
9
]
Aldose Reductase (ALR2)
[
6
]
HIV-1 Protease Mutant (V82A/I84V)
[
9
]
Aldose Reductase (ALR2) Mutant (L300P)
[
2
]
HIV-1 Protease Mutant (V82F/I84V)
[
4
]
apocytochrome b562
[
1
]
HIV-1 Protease Mutant, A-1
[
4
]
apocytochrome b562(denatured)
[
1
]
HIV-1 Protease Mutant, ANAM-11
[
4
]
Bak
[
1
]
HIV-1 Protease Mutant, MDR-HM
[
9
]
Bid (34-mer)
[
1
]
HIV-1 Protease Mutant, MDR-QM
[
9
]
Bim
[
1
]
HIV-1 Protease Mutant, NAM-10
[
4
]
BirA Bifunctional Protein
[
7
]
HMG-CoA Reductase
[
27
]
BirA Bifunctional Protein Mutant (V214A)
[
3
]
HyHEL-10
[
3
]
BirA Bifunctional Protein Mutant (V219A)
[
3
]
HyHEL-10 Fv Mutant (HD32A)
[
1
]
BirA Bifunctional Protein Mutant (W223A)
[
3
]
HyHEL-10 Fv Mutant (HD32E)
[
1
]
Bmf
[
1
]
HyHEL-10 Fv Mutant (HD32N)
[
1
]
CAM-alpha-lactalbumin
[
4
]
HyHEL-10 Mutant (AEAF)
[
2
]
CAM-BPTI
[
5
]
HyHEL-10 Mutant (ETKF)
[
2
]
CAM-RNase A
[
4
]
HyHEL-10 Mutant (HY58A)
[
2
]
Caspase-3
[
8
]
HyHEL-10 Mutant (HY58F)
[
2
]
Caspase-3|IST-1 Complex
[
1
]
HyHEL-10 Mutant (SFSF)
[
2
]
Chicken erythrocyte chromatin
[
10
]
HyHEL-5 Fab
[
2
]
Conantokin-G
[
5
]
HyHEL-5 Mutant(E50D)
[
2
]
Conantokin-T
[
4
]
HyHEL-5 Mutant(E50Q)
[
1
]
cPLA2 C2
[
1
]
iso-1-cytochrome c (Cc)
[
13
]
Cytochrome P450 2B4
[
2
]
LNoxaB
[
1
]
Cytochrome P450 2B4 Mutant (F206A)
[
1
]
Lysozyme (bobwhite quail)
[
2
]
Cytochrome P450 Reductase (CPR)
[
5
]
Lysozyme (hen egg)
[
46
]
D1.3 Fv
[
6
]
Lysozyme (turkey egg)
[
6
]
D1.3 mAb
[
1
]
Major Urinary Protein (MUP-1)
[
8
]
D11.15 Fab
[
2
]
Mcl-1
[
10
]
D11.15 mAb
[
2
]
NoxaA
[
1
]
D44.1 Fab
[
3
]
NoxaB
[
1
]
D44.1 mAb
[
4
]
NoxaB Mutant (E74F)
[
1
]
DNA (D12CA)
[
1
]
Outer Membrane Phospholipase A
[
1
]
DNA (D12CC)
[
1
]
Outer Membrane Phospholipase A (sulfonylated)
[
1
]
DNA (D12CG)
[
1
]
peptide ENIFPLE
[
6
]
DNA (D12CT)
[
1
]
peptide HIPPEN
[
7
]
DNA (D9AA)
[
1
]
peptide HIPPENIFPLE
[
9
]
DNA (D9AC)
[
1
]
PIM-1 Kinase
[
9
]
DNA (D9AG)
[
1
]
PLD alpha C2
[
1
]
DNA (D9AT)
[
5
]
PLD beta C2
[
2
]
DNA Gyrase
[
4
]
PNA (P12)
[
4
]
DNA(calf thymus)
[
2
]
PNA (P9CT)
[
1
]
Enoyl-ACP Reductase (FabI)
[
13
]
PNA (P9GT)
[
1
]
Enoyl-ACP Reductase (FabI) Mutant (F203L)
[
9
]
PNA (P9TT)
[
1
]
Estrogen-Related Receptor, alpha
[
1
]
PNA(P9)
[
5
]
Estrogen-Related Receptor, alpha Mutant (C325S)
[
1
]
Puma
[
1
]
F9.13.7 Fab
[
4
]
Puma Mutant (M144I)
[
1
]
F9.13.7 mAb
[
4
]
pY317 (phosphotyrosine polypeptide)
[
5
]
FAD-Binding Domain
[
1
]
pY317 N(+2)A
[
1
]
Farnesyl Diphosphate Synthase (FPPS)
[
11
]
pY317 Q(+4)A
[
1
]
ferricytochrome c peroxidase (CcP)
[
13
]
pY317 S(-1)A
[
1
]
FvD1.3(VLW92A)
[
1
]
pY317 V(+1)A
[
1
]
FvD1.3(VLW92D)
[
1
]
pY317 V(+3)A
[
1
]
FvD1.3(VLW92F)
[
1
]
Quinone Reductase 2 (QR2)
[
3
]
FvD1.3(VLW92H)
[
1
]
Renin
[
11
]
FvD1.3(VLW92S)
[
1
]
Rho Transcription Termination Factor
[
3
]
FvD1.3(VLW92V)
[
1
]
RNA(23-mer)
[
9
]
FvD1.3(VLW92wt)
[
1
]
sc1E3
[
9
]
Glyoxylate Regulatory Protein (C-AllR)
[
1
]
SecB
[
15
]
Grb2-SH2
[
10
]
Thrombin
[
19
]
Guanylyl Cyclase C receptor mAb
[
22
]
Thymidine Kinase
[
8
]
H1/H5-depleted chromatin
[
2
]
Thymidine Kinase (TK.dT)
[
4
]
Heat Shock Protein 90 (Hsp90)
[
29
]
Transcriptional Regulator TtgR
[
19
]
hIL-1beta
[
9
]
Transcriptional Regulator TtgR Mutant R176G
[
2
]
HIV-1 Nef
[
5
]
Transcriptional Regulator TtgR-DNA
[
4
]
HIV-1 Protease
[
17
]
tRNA synthetase (GlyRS)
[
4
]
HIV-1 Protease A Subtype
[
5
]
Trypsin
[
30
]
HIV-1 Protease A Subtype Mutant (V82F/I84V)
[
5
]
v-Src SH2 Domain
[
4
]
HIV-1 Protease B Subtype
[
5
]