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BDBM15633 (2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-yl}formamido)-2-phenylacetic acid::(S)-2-(4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamido)-2-phenylacetic acid::Pyrrole Carboxamide Analog 6d

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

InChI Key: InChIKey=UMZHRFFXXGXJSJ-FQEVSTJZSA-N

Data: 2 KI

PDB links: 1 PDB ID contains 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 = 15633   
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 10


(Homo sapiens (Human))
BDBM15633
PNG
((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C22H17ClN4O3/c23-16-8-4-7-14(9-16)17-12-25-27-19(17)15-10-18(24-11-15)21(28)26-20(22(29)30)13-5-2-1-3-6-13/h1-12,20,24H,(H,25,27)(H,26,28)(H,29,30)/t20-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>4.00E+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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM15633
PNG
((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C22H17ClN4O3/c23-16-8-4-7-14(9-16)17-12-25-27-19(17)15-10-18(24-11-15)21(28)26-20(22(29)30)13-5-2-1-3-6-13/h1-12,20,24H,(H,25,27)(H,26,28)(H,29,30)/t20-/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
>5.00E+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