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BDBM153385 2-(4,5-Dibromo-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazine carbothioamide (5c)

SMILES: [O-][N+](=O)c1ccc(NC(=S)NNC(=O)c2cc(Br)c(Br)[nH]2)cc1

InChI Key: InChIKey=GWMXZICXDPPHIP-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 153385   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM153385
PNG
(2-(4,5-Dibromo-1H-pyrrole-2-carbonyl)-N-(4-nitroph...)
Show SMILES [O-][N+](=O)c1ccc(NC(=S)NNC(=O)c2cc(Br)c(Br)[nH]2)cc1
Show InChI InChI=1S/C12H9Br2N5O3S/c13-8-5-9(16-10(8)14)11(20)17-18-12(23)15-6-1-3-7(4-2-6)19(21)22/h1-5,16H,(H,17,20)(H2,15,18,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.21E+4n/an/an/an/a8.025



University of KwaZulu-Nata



Assay Description
The synthesized compounds were assayed for the inhibitory activities against MMP-12 in 96-well microtiter plates using thiopeptolide as the substrate...


Chem Biol Drug Des 86: 210-22 (2015)


Article DOI: 10.1111/cbdd.12481
BindingDB Entry DOI: 10.7270/Q2K64GSK
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM153385
PNG
(2-(4,5-Dibromo-1H-pyrrole-2-carbonyl)-N-(4-nitroph...)
Show SMILES [O-][N+](=O)c1ccc(NC(=S)NNC(=O)c2cc(Br)c(Br)[nH]2)cc1
Show InChI InChI=1S/C12H9Br2N5O3S/c13-8-5-9(16-10(8)14)11(20)17-18-12(23)15-6-1-3-7(4-2-6)19(21)22/h1-5,16H,(H,17,20)(H2,15,18,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.37E+4n/an/an/an/a8.525



University of KwaZulu-Nata



Assay Description
The synthesized compounds were assayed for the inhibitory activities against MMP-2 in 96-well microtiter plates using succinylated gelatin as the sub...


Chem Biol Drug Des 86: 210-22 (2015)


Article DOI: 10.1111/cbdd.12481
BindingDB Entry DOI: 10.7270/Q2K64GSK
More data for this
Ligand-Target Pair