BindingDB logo
myBDB logout

null

SMILES: CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1

InChI Key:

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 = 50237363   
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 anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Intracellular levels of cAMP in HEK 293 cells expressing human melanocortin 4 receptor (hMC4R)


J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
More data for this
Ligand-Target Pair
Carbonic anhydrase V


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]DA binding to dopamine (DAT) transporter in HEK cells


J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
More data for this
Ligand-Target Pair