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BDBM50053866 CHEMBL131707::Quinoline-2-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide

SMILES: CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=OWSUSRRECBEBIZ-UHFFFAOYSA-N

Data: 3 KI

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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 3 hits for monomerid = 50053866   
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
Cathepsin B


(Bos taurus (bovine))
BDBM50053866
PNG
(CHEMBL131707 | Quinoline-2-carboxylic acid [1-(1-e...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H30N4O4/c1-5-16(20(28)23(31)24-6-2)26-22(30)19(13-14(3)4)27-21(29)18-12-11-15-9-7-8-10-17(15)25-18/h7-12,14,16,19H,5-6,13H2,1-4H3,(H,24,31)(H,26,30)(H,27,29)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0960n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053866
PNG
(CHEMBL131707 | Quinoline-2-carboxylic acid [1-(1-e...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H30N4O4/c1-5-16(20(28)23(31)24-6-2)26-22(30)19(13-14(3)4)27-21(29)18-12-11-15-9-7-8-10-17(15)25-18/h7-12,14,16,19H,5-6,13H2,1-4H3,(H,24,31)(H,26,30)(H,27,29)
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antibodypedia
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PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cysteine protease Calpain 2


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053866
PNG
(CHEMBL131707 | Quinoline-2-carboxylic acid [1-(1-e...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H30N4O4/c1-5-16(20(28)23(31)24-6-2)26-22(30)19(13-14(3)4)27-21(29)18-12-11-15-9-7-8-10-17(15)25-18/h7-12,14,16,19H,5-6,13H2,1-4H3,(H,24,31)(H,26,30)(H,27,29)
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair