BindingDB logo
myBDB logout

BDBM93563 5-amino-3-(4-chlorophenyl)-4-keto-N-[(E)-p-anisylideneamino]thieno[3,4-d]pyridazine-1-carboxamide::5-amino-3-(4-chlorophenyl)-N'-(4-methoxybenzylidene)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carbohydrazide::5-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxamide::5-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxothieno[3,4-d]pyridazine-1-carboxamide::5-azanyl-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxamide::MLS000545167::SMR000164097::cid_6871358

SMILES: COc1ccc(\C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1

InChI Key: InChIKey=OBKQMYZOTJHQIJ-YSURURNPSA-N

Data: 4 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 4 hits for monomerid = 93563   
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
Caspase-3


(Homo sapiens (Human))
BDBM93563
PNG
(5-amino-3-(4-chlorophenyl)-4-keto-N-[(E)-p-anisyli...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1
Show InChI InChI=1S/C21H16ClN5O3S/c1-30-15-8-2-12(3-9-15)10-24-25-20(28)18-16-11-31-19(23)17(16)21(29)27(26-18)14-6-4-13(22)5-7-14/h2-11H,23H2,1H3,(H,25,28)/b24-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2930RSV
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93563
PNG
(5-amino-3-(4-chlorophenyl)-4-keto-N-[(E)-p-anisyli...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1
Show InChI InChI=1S/C21H16ClN5O3S/c1-30-15-8-2-12(3-9-15)10-24-25-20(28)18-16-11-31-19(23)17(16)21(29)27(26-18)14-6-4-13(22)5-7-14/h2-11H,23H2,1H3,(H,25,28)/b24-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 967n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93563
PNG
(5-amino-3-(4-chlorophenyl)-4-keto-N-[(E)-p-anisyli...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1
Show InChI InChI=1S/C21H16ClN5O3S/c1-30-15-8-2-12(3-9-15)10-24-25-20(28)18-16-11-31-19(23)17(16)21(29)27(26-18)14-6-4-13(22)5-7-14/h2-11H,23H2,1H3,(H,25,28)/b24-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 967n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM93563
PNG
(5-amino-3-(4-chlorophenyl)-4-keto-N-[(E)-p-anisyli...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1
Show InChI InChI=1S/C21H16ClN5O3S/c1-30-15-8-2-12(3-9-15)10-24-25-20(28)18-16-11-31-19(23)17(16)21(29)27(26-18)14-6-4-13(22)5-7-14/h2-11H,23H2,1H3,(H,25,28)/b24-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair