Found 8 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 |
|---|
Ras-related C3 botulinum toxin substrate 1
(Mus musculus) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2T43RHD |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-37]
(Homo sapiens (Human)) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2JQ0ZF7 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Mus musculus) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2PK0DK8 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q23B5XM4 |
More data for this
Ligand-Target Pair | |
Ras-related protein Rab-2A
(Canis lupus familiaris) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q25H7DQC |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2NK3CFW |
More data for this
Ligand-Target Pair | |
GTPase KRas [1-37]
(Homo sapiens (Human)) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2C53J83 |
More data for this
Ligand-Target Pair | |
Ras-related protein Rab-7a
(Canis lupus familiaris) | BDBM54711
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1 Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2F18X40 |
More data for this
Ligand-Target Pair | |