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BDBM43424 2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-N-(cyclohexylmethyl)ethanamide::MLS000390353::N-(cyclohexylmethyl)-2-(4,5-dichloro-6-keto-pyridazin-1-yl)acetamide::N-(cyclohexylmethyl)-2-(4,5-dichloro-6-oxo-1-pyridazinyl)acetamide::N-(cyclohexylmethyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide::SMR000255320::cid_2585197

SMILES: Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl

InChI Key: InChIKey=VJTYXYHEDHOHEI-UHFFFAOYSA-N

Data: 2 IC50  4 EC50

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 6 hits for monomerid = 43424   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43424
PNG
(2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-...)
Show SMILES Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 1.89E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43424
PNG
(2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-...)
Show SMILES Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)
PDB
MMDB

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n/an/an/an/a 2.08E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KW5DG0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM43424
PNG
(2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-...)
Show SMILES Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)
PDB

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n/an/a 3.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM43424
PNG
(2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-...)
Show SMILES Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM43424
PNG
(2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-...)
Show SMILES Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43424
PNG
(2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-...)
Show SMILES Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 4.05E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2G73C3D
More data for this
Ligand-Target Pair