new BindingDB logo
myBDB logout

BDBM50035678 CHEMBL2377774

SMILES: OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O

InChI Key: InChIKey=MRRDXZGCMXRGFR-UHFFFAOYSA-N

Data: 4 KI

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 = 50035678   
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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.980n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair