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5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide 5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide(tenidap)::CHEMBL1097558::Tenidap

SMILES: NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12

InChI Key: InChIKey=IZSFDUMVCVVWKW-UHFFFAOYSA-N

Data: 2 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match


Vconf -m prep

Other Databases links: PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50331888    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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
COX-1


(HUMAN)
5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide
PNG
(5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydr...)
Show SMILES NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
ZINC 0

Cmpd Page

AffyNet 
PubMed
81.0n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)

More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Homo sapiens (human))
5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide
PNG
(5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydr...)
Show SMILES NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
Antibodypedia

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
ZINC 0

Cmpd Page

AffyNet 
PubMed
2900.0n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Oryctolagus cuniculus)
5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide
PNG
(5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydr...)
Show SMILES NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
ZINC 0

Cmpd Page

AffyNet 
Article
PubMed
n/an/a 8400.0n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of c...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide
PNG
(5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydr...)
Show SMILES NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
ZINC 0

Cmpd Page

AffyNet 
PubMed
n/an/a 9000.0n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1) cells


J Med Chem 33: 2019-24 (1990)

More data for this
Ligand-Target Pair
Cyclooxygenase-1


(Oryctolagus cuniculus)
5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydro-indole-1-carboxylic acid amide
PNG
(5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydr...)
Show SMILES NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
ZINC 0

Cmpd Page

AffyNet 
Article
PubMed
n/an/a 2560.0n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of c...


Citation and Details
More data for this
Ligand-Target Pair