Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase HRas' and Ligand = 'BDBM50421182' 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 |
|---|
GTPase HRas
(Homo sapiens (Human)) | BDBM50421182
(CHEMBL2086797)Show SMILES CC[C@H](C)[C@H](NC(=O)CN1C\C=C/CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(O)=O)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,c:11| Show InChI InChI=1S/C92H142N22O27/c1-11-51(8)76(113-71(118)47-114-40-19-13-16-25-70(117)101-67(44-54-21-14-12-15-22-54)88(138)107-62(91(114)141)33-37-75(125)126)90(140)112-68(45-55-26-28-56(115)29-27-55)89(139)104-58(24-20-39-98-92(96)97)82(132)109-64(41-48(2)3)86(136)106-61(32-36-74(123)124)84(134)110-66(43-50(6)7)87(137)111-65(42-49(4)5)85(135)103-57(23-17-18-38-93)80(130)99-52(9)78(128)102-60(31-35-73(121)122)83(133)105-59(30-34-72(119)120)81(131)100-53(10)79(129)108-63(77(95)127)46-69(94)116/h12-15,19,21-22,26-29,48-53,57-68,76,115H,11,16-18,20,23-25,30-47,93H2,1-10H3,(H2,94,116)(H2,95,127)(H,99,130)(H,100,131)(H,101,117)(H,102,128)(H,103,135)(H,104,139)(H,105,133)(H,106,136)(H,107,138)(H,108,129)(H,109,132)(H,110,134)(H,111,137)(H,112,140)(H,113,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H4,96,97,98)/b19-13-/t51-,52-,53-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.58E+5 | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Binding affinity to His6-tagged HRas-GDP expressed in Escherichia coli (BL21) by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 5766-76 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.082
BindingDB Entry DOI: 10.7270/Q2RR20JZ |
More data for this
Ligand-Target Pair | |
GTPase HRas
(Homo sapiens (Human)) | BDBM50421182
(CHEMBL2086797)Show SMILES CC[C@H](C)[C@H](NC(=O)CN1C\C=C/CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(O)=O)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,c:11| Show InChI InChI=1S/C92H142N22O27/c1-11-51(8)76(113-71(118)47-114-40-19-13-16-25-70(117)101-67(44-54-21-14-12-15-22-54)88(138)107-62(91(114)141)33-37-75(125)126)90(140)112-68(45-55-26-28-56(115)29-27-55)89(139)104-58(24-20-39-98-92(96)97)82(132)109-64(41-48(2)3)86(136)106-61(32-36-74(123)124)84(134)110-66(43-50(6)7)87(137)111-65(42-49(4)5)85(135)103-57(23-17-18-38-93)80(130)99-52(9)78(128)102-60(31-35-73(121)122)83(133)105-59(30-34-72(119)120)81(131)100-53(10)79(129)108-63(77(95)127)46-69(94)116/h12-15,19,21-22,26-29,48-53,57-68,76,115H,11,16-18,20,23-25,30-47,93H2,1-10H3,(H2,94,116)(H2,95,127)(H,99,130)(H,100,131)(H,101,117)(H,102,128)(H,103,135)(H,104,139)(H,105,133)(H,106,136)(H,107,138)(H,108,129)(H,109,132)(H,110,134)(H,111,137)(H,112,140)(H,113,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H4,96,97,98)/b19-13-/t51-,52-,53-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Binding affinity to His6-tagged HRas expressed in Escherichia coli (BL21) by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 5766-76 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.082
BindingDB Entry DOI: 10.7270/Q2RR20JZ |
More data for this
Ligand-Target Pair | |
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