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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 G (Isothermal Titration Calorimetry)
< ΔG° <
Energy Unit:
kcal/mole
kJ/mole
2S-ScamLA
[
1
]
HIV-1 Protease C Subtype Mutant (V82F/I84V)
[
5
]
3S-ScamLA
[
1
]
HIV-1 Protease Mutant (L10I/L90M)
[
9
]
Ab N1G9
[
4
]
HIV-1 Protease Mutant (M46I/I54V)
[
9
]
Acetate Operon Repressor (C-IclR)
[
2
]
HIV-1 Protease Mutant (V82A/I84V)
[
9
]
Acetate Operon Repressor (IclR)
[
1
]
HIV-1 Protease Mutant (V82F/I84V)
[
4
]
Aldose Reductase (ALR2)
[
10
]
HIV-1 Protease Mutant, A-1
[
4
]
Aldose Reductase (ALR2) Mutant (L300P)
[
2
]
HIV-1 Protease Mutant, ANAM-11
[
4
]
apocytochrome b562
[
1
]
HIV-1 Protease Mutant, MDR-HM
[
9
]
apocytochrome b562(denatured)
[
1
]
HIV-1 Protease Mutant, MDR-QM
[
9
]
BirA Bifunctional Protein
[
7
]
HIV-1 Protease Mutant, NAM-10
[
4
]
BirA Bifunctional Protein Mutant (V214A)
[
3
]
HMG-CoA Reductase
[
27
]
BirA Bifunctional Protein Mutant (V219A)
[
3
]
HyHEL-10
[
3
]
BirA Bifunctional Protein Mutant (W223A)
[
3
]
HyHEL-10 Fv Mutant (HD32A)
[
1
]
CAM-alpha-lactalbumin
[
4
]
HyHEL-10 Fv Mutant (HD32E)
[
1
]
CAM-BPTI
[
5
]
HyHEL-10 Fv Mutant (HD32N)
[
1
]
CAM-RNase A
[
4
]
HyHEL-10 Mutant (AEAF)
[
2
]
Caspase-3
[
8
]
HyHEL-10 Mutant (ETKF)
[
2
]
Caspase-3|IST-1 Complex
[
1
]
HyHEL-10 Mutant (HY58A)
[
2
]
Chicken erythrocyte chromatin
[
10
]
HyHEL-10 Mutant (HY58F)
[
2
]
Conantokin-G
[
5
]
HyHEL-10 Mutant (SFSF)
[
2
]
Conantokin-T
[
4
]
HyHEL-5 Fab
[
2
]
cPLA2 C2
[
1
]
HyHEL-5 Mutant(E50D)
[
2
]
Cytochrome P450 Reductase (CPR)
[
5
]
HyHEL-5 Mutant(E50Q)
[
2
]
D1.3 Fv
[
6
]
iso-1-cytochrome c (Cc)
[
13
]
D1.3 mAb
[
1
]
Lysozyme (bobwhite quail)
[
3
]
D11.15 Fab
[
2
]
Lysozyme (hen egg)
[
46
]
D11.15 mAb
[
2
]
Lysozyme (turkey egg)
[
6
]
D44.1 Fab
[
3
]
Major Urinary Protein (MUP-1)
[
8
]
D44.1 mAb
[
4
]
Outer Membrane Phospholipase A
[
1
]
DNA
[
3
]
Outer Membrane Phospholipase A (sulfonylated)
[
1
]
DNA (D12CA)
[
1
]
peptide ENIFPLE
[
6
]
DNA (D12CC)
[
1
]
peptide HIPPEN
[
7
]
DNA (D12CG)
[
1
]
peptide HIPPENIFPLE
[
9
]
DNA (D12CT)
[
1
]
PIM-1 Kinase
[
9
]
DNA (D9AA)
[
1
]
PLD alpha C2
[
1
]
DNA (D9AC)
[
1
]
PLD beta C2
[
2
]
DNA (D9AG)
[
1
]
PNA (P12)
[
4
]
DNA (D9AT)
[
5
]
PNA (P9CT)
[
1
]
DNA Gyrase
[
4
]
PNA (P9GT)
[
1
]
DNA(calf thymus)
[
2
]
PNA (P9TT)
[
1
]
Enoyl-ACP Reductase (FabI)
[
13
]
PNA(P9)
[
5
]
Enoyl-ACP Reductase (FabI) Mutant (F203L)
[
9
]
pY317 (phosphotyrosine polypeptide)
[
5
]
F9.13.7 Fab
[
4
]
pY317 N(+2)A
[
1
]
F9.13.7 mAb
[
4
]
pY317 Q(+4)A
[
1
]
FAD-Binding Domain
[
1
]
pY317 S(-1)A
[
1
]
Farnesyl Diphosphate Synthase (FPPS)
[
11
]
pY317 V(+1)A
[
1
]
ferricytochrome c peroxidase (CcP)
[
13
]
pY317 V(+3)A
[
1
]
FvD1.3(VLW92A)
[
1
]
Quinone Reductase 2 (QR2)
[
3
]
FvD1.3(VLW92D)
[
1
]
Renin
[
11
]
FvD1.3(VLW92F)
[
1
]
Rho Transcription Termination Factor
[
3
]
FvD1.3(VLW92H)
[
1
]
RNA(23-mer)
[
9
]
FvD1.3(VLW92S)
[
1
]
sc1E3
[
9
]
FvD1.3(VLW92V)
[
1
]
SecB
[
15
]
FvD1.3(VLW92wt)
[
1
]
Serine Hydroxymethyltransferase
[
5
]
Glyoxylate Regulatory Protein (C-AllR)
[
1
]
Thrombin
[
19
]
Grb2-SH2
[
10
]
Thymidine Kinase
[
8
]
Guanylyl Cyclase C receptor mAb
[
22
]
Thymidine Kinase (TK.dT)
[
4
]
H1/H5-depleted chromatin
[
2
]
Transcriptional Regulator TtgR
[
19
]
Heat Shock Protein 90 (Hsp90)
[
29
]
Transcriptional Regulator TtgR Mutant R176G
[
2
]
hIL-1beta
[
9
]
Transcriptional Regulator TtgR-DNA
[
4
]
HIV-1 Nef
[
5
]
tRNA synthetase (GlyRS)
[
4
]
HIV-1 Protease
[
17
]
Trypsin
[
30
]
HIV-1 Protease A Subtype
[
5
]
v-Src SH2 Domain
[
4
]
HIV-1 Protease A Subtype Mutant (V82F/I84V)
[
5
]
vnd/NK-2 HD
[
1
]
HIV-1 Protease B Subtype
[
5
]
vnd/NK-2 HD Mutant (H52R/T56W)
[
1
]
HIV-1 Protease B Subtype Mutant (V82F/I84V)
[
5
]
vnd/NK-2 HD Mutant(H52R)
[
1
]
HIV-1 Protease C Subtype
[
5
]