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SMILES: COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C4CC4)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50591184   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591184
PNG
(CHEMBL5172973)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C4CC4)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:56:57:54.55.60:61,THB:58:57:54:60.59.61,58:59:54:62.57.56,56:55:61:62.57.58|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50591184
PNG
(CHEMBL5172973)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C4CC4)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:56:57:54.55.60:61,THB:58:57:54:60.59.61,58:59:54:62.57.56,56:55:61:62.57.58|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 579n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591184
PNG
(CHEMBL5172973)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C4CC4)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:56:57:54.55.60:61,THB:58:57:54:60.59.61,58:59:54:62.57.56,56:55:61:62.57.58|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591184
PNG
(CHEMBL5172973)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C4CC4)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:56:57:54.55.60:61,THB:58:57:54:60.59.61,58:59:54:62.57.56,56:55:61:62.57.58|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair