BindingDB logo
myBDB logout

BDBM50052035 18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione::CHEMBL315357

SMILES: O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12

InChI Key: InChIKey=CLHMTFQYMLYQME-FQEVSTJZSA-N

Data: 8 IC50

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 8 hits for monomerid = 50052035   
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
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C eta


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C zeta


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50052035
PNG
(18-(1,4-oxazinan-4-ylmethyl)-(18S)-17-oxa-4,14,21-...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C30H30N4O4/c35-29-27-23-18-33(25-7-3-1-5-21(23)25)10-9-20(17-32-11-14-37-15-12-32)38-16-13-34-19-24(28(27)30(36)31-29)22-6-2-4-8-26(22)34/h1-8,18-20H,9-17H2,(H,31,35,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair