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BDBM93015 Indole-3-carboxylate

SMILES: OC(=O)c1c[nH]c2ccccc12

InChI Key: InChIKey=KMAKOBLIOCQGJP-UHFFFAOYSA-N

Data: 4 KI

PDB links: 3 PDB IDs match this monomer.

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 = 93015   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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PC sid
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Article
PubMed
4.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
PDB
MMDB

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PC sid
PDB
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Article
PubMed
4.90E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
PDB
MMDB

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MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
7.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair