Found 6 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 |
|---|
Coagulation factor XI
(Homo sapiens (Human)) | BDBM32871
(1-cyclohexyl-3-[(4-ketospiro[1,6-dihydrobenzo[h]qu...)Show SMILES O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12 Show InChI InChI=1S/C23H29N5OS/c29-20-18-19(17-11-5-4-8-15(17)14-23(18)12-6-7-13-23)25-21(26-20)27-28-22(30)24-16-9-2-1-3-10-16/h4-5,8,11,16H,1-3,6-7,9-10,12-14H2,(H2,24,28,30)(H2,25,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD
Curated by PubChem BioAssay
| Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2H993J6 |
More data for this
Ligand-Target Pair | |
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM32871
(1-cyclohexyl-3-[(4-ketospiro[1,6-dihydrobenzo[h]qu...)Show SMILES O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12 Show InChI InChI=1S/C23H29N5OS/c29-20-18-19(17-11-5-4-8-15(17)14-23(18)12-6-7-13-23)25-21(26-20)27-28-22(30)24-16-9-2-1-3-10-16/h4-5,8,11,16H,1-3,6-7,9-10,12-14H2,(H2,24,28,30)(H2,25,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2NK3CGB |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM32871
(1-cyclohexyl-3-[(4-ketospiro[1,6-dihydrobenzo[h]qu...)Show SMILES O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12 Show InChI InChI=1S/C23H29N5OS/c29-20-18-19(17-11-5-4-8-15(17)14-23(18)12-6-7-13-23)25-21(26-20)27-28-22(30)24-16-9-2-1-3-10-16/h4-5,8,11,16H,1-3,6-7,9-10,12-14H2,(H2,24,28,30)(H2,25,26,27,29) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q28C9TQN |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM32871
(1-cyclohexyl-3-[(4-ketospiro[1,6-dihydrobenzo[h]qu...)Show SMILES O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12 Show InChI InChI=1S/C23H29N5OS/c29-20-18-19(17-11-5-4-8-15(17)14-23(18)12-6-7-13-23)25-21(26-20)27-28-22(30)24-16-9-2-1-3-10-16/h4-5,8,11,16H,1-3,6-7,9-10,12-14H2,(H2,24,28,30)(H2,25,26,27,29) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2PC30VZ |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM32871
(1-cyclohexyl-3-[(4-ketospiro[1,6-dihydrobenzo[h]qu...)Show SMILES O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12 Show InChI InChI=1S/C23H29N5OS/c29-20-18-19(17-11-5-4-8-15(17)14-23(18)12-6-7-13-23)25-21(26-20)27-28-22(30)24-16-9-2-1-3-10-16/h4-5,8,11,16H,1-3,6-7,9-10,12-14H2,(H2,24,28,30)(H2,25,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD
Curated by PubChem BioAssay
| Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2GH9GC8 |
More data for this
Ligand-Target Pair | |
Streptokinase A
(Streptococcus pyogenes M1 GAS) | BDBM32871
(1-cyclohexyl-3-[(4-ketospiro[1,6-dihydrobenzo[h]qu...)Show SMILES O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12 Show InChI InChI=1S/C23H29N5OS/c29-20-18-19(17-11-5-4-8-15(17)14-23(18)12-6-7-13-23)25-21(26-20)27-28-22(30)24-16-9-2-1-3-10-16/h4-5,8,11,16H,1-3,6-7,9-10,12-14H2,(H2,24,28,30)(H2,25,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2736PBV |
More data for this
Ligand-Target Pair | |