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BDBM15635 (2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-yl}formamido)-N-methyl-2-phenylacetamide::N-((S)-(Methylcarbamoyl(phenyl)methyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide::Pyrrole Carboxamide Analog 6f

SMILES: CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1

InChI Key: InChIKey=HRQBKMJXRJHEMV-NRFANRHFSA-N

Data: 2 KI

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to 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 2 hits for monomerid = 15635   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM15635
PNG
((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H20ClN5O2/c1-25-23(31)21(14-6-3-2-4-7-14)28-22(30)19-11-16(12-26-19)20-18(13-27-29-20)15-8-5-9-17(24)10-15/h2-13,21,26H,1H3,(H,25,31)(H,27,29)(H,28,30)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


J Med Chem 50: 1280-7 (2007)


Article DOI: 10.1021/jm061381f
BindingDB Entry DOI: 10.7270/Q2BR8QFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15635
PNG
((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...)
Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H20ClN5O2/c1-25-23(31)21(14-6-3-2-4-7-14)28-22(30)19-11-16(12-26-19)20-18(13-27-29-20)15-8-5-9-17(24)10-15/h2-13,21,26H,1H3,(H,25,31)(H,27,29)(H,28,30)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...


J Med Chem 50: 1280-7 (2007)


Article DOI: 10.1021/jm061381f
BindingDB Entry DOI: 10.7270/Q2BR8QFV
More data for this
Ligand-Target Pair