Found 2 hits in this display Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Caspase-7
(Homo sapiens (Human)) | BDBM79433
(MLS000556848 | SMR000147965 | cid_4678256)Show SMILES [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(C2CCC(CC2)C(=O)Nc2ccc(Cc3ccncc3)cc2)C1=O |c:2,TLB:11:10:8.6:2.3,7:6:9.10:2.3,THB:7:8:9.10:2.3,36:9:8.6:2.3,(8.4,5.42,;7.69,4.79,;7.12,6.87,;5.78,6.1,;7.29,3.3,;7.93,4.01,;4.62,1.76,;3.08,1.76,;3.85,3.1,;10.11,2.14,;10.51,3.62,;12.04,3.7,;12.88,4.99,;12.58,2.27,;14.07,1.87,;14.47,.38,;15.96,-.01,;17.05,1.07,;16.65,2.56,;15.16,2.96,;18.53,.68,;19.62,1.76,;18.93,-.81,;20.42,-1.21,;21.51,-.12,;23,-.52,;23.4,-2.01,;24.88,-2.41,;25.28,-3.89,;26.77,-4.29,;27.17,-5.78,;26.08,-6.87,;24.59,-6.47,;24.19,-4.98,;22.31,-3.1,;20.82,-2.7,;11.4,1.31,;11.48,-.23,)| Show InChI InChI=1S/C30H31N3O3/c34-28(32-20-5-1-17(2-6-20)15-18-11-13-31-14-12-18)19-3-7-21(8-4-19)33-29(35)26-22-9-10-23(25-16-24(22)25)27(26)30(33)36/h1-2,5-6,9-14,19,21-27H,3-4,7-8,15-16H2,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q20V8B80 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM79433
(MLS000556848 | SMR000147965 | cid_4678256)Show SMILES [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(C2CCC(CC2)C(=O)Nc2ccc(Cc3ccncc3)cc2)C1=O |c:2,TLB:11:10:8.6:2.3,7:6:9.10:2.3,THB:7:8:9.10:2.3,36:9:8.6:2.3,(8.4,5.42,;7.69,4.79,;7.12,6.87,;5.78,6.1,;7.29,3.3,;7.93,4.01,;4.62,1.76,;3.08,1.76,;3.85,3.1,;10.11,2.14,;10.51,3.62,;12.04,3.7,;12.88,4.99,;12.58,2.27,;14.07,1.87,;14.47,.38,;15.96,-.01,;17.05,1.07,;16.65,2.56,;15.16,2.96,;18.53,.68,;19.62,1.76,;18.93,-.81,;20.42,-1.21,;21.51,-.12,;23,-.52,;23.4,-2.01,;24.88,-2.41,;25.28,-3.89,;26.77,-4.29,;27.17,-5.78,;26.08,-6.87,;24.59,-6.47,;24.19,-4.98,;22.31,-3.1,;20.82,-2.7,;11.4,1.31,;11.48,-.23,)| Show InChI InChI=1S/C30H31N3O3/c34-28(32-20-5-1-17(2-6-20)15-18-11-13-31-14-12-18)19-3-7-21(8-4-19)33-29(35)26-22-9-10-23(25-16-24(22)25)27(26)30(33)36/h1-2,5-6,9-14,19,21-27H,3-4,7-8,15-16H2,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q24M9315 |
More data for this
Ligand-Target Pair | |