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BDBM50126164 CHEMBL3416132

SMILES: Clc1ccc2CCNC(=O)c2c1

InChI Key: InChIKey=NMZRTRAYSHQMPR-UHFFFAOYSA-N

Data: 1 KI  4 IC50

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 50126164   
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
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50126164
PNG
(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
8.90E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins


ACS Med Chem Lett 7: 1077-1081 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50126164
PNG
(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP-10 (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50126164
PNG
(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.62E+4n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50126164
PNG
(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.62E+4n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50126164
PNG
(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) by fluorescence analysis


Bioorg Med Chem Lett 25: 4770-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.033
BindingDB Entry DOI: 10.7270/Q23R0VQW
More data for this
Ligand-Target Pair