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BDBM61890 MLS001097823::N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-3-pyrrol-1-yl-benzamide::N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-(1-pyrrolyl)benzamide::N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-pyrrol-1-ylbenzamide::N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-pyrrol-1-yl-benzamide::SMR000708805::cid_24686892

SMILES: CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O

InChI Key: InChIKey=SEGRDOJPCROHCV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 61890   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM61890
PNG
(MLS001097823 | N-(6-amino-2,4-diketo-1-propyl-pyri...)
Show SMILES CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H27N5O3/c1-3-5-14-26(18-19(23)27(11-4-2)22(30)24-20(18)28)21(29)16-9-8-10-17(15-16)25-12-6-7-13-25/h6-10,12-13,15H,3-5,11,14,23H2,1-2H3,(H,24,28,30)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM61890
PNG
(MLS001097823 | N-(6-amino-2,4-diketo-1-propyl-pyri...)
Show SMILES CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H27N5O3/c1-3-5-14-26(18-19(23)27(11-4-2)22(30)24-20(18)28)21(29)16-9-8-10-17(15-16)25-12-6-7-13-25/h6-10,12-13,15H,3-5,11,14,23H2,1-2H3,(H,24,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair