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BDBM15616 4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]-1H-pyrazole::4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrol-2-yl)(pyrrolidin-1-yl)methanone::Pyrrole Carboxamide Analog 5b

SMILES: Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1

InChI Key: InChIKey=JVFFNJBBYLKYSH-UHFFFAOYSA-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 = 15616   
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))
BDBM15616
PNG
(4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-...)
Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H17ClN4O/c19-14-5-3-4-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-6-1-2-7-23/h3-5,8-11,20H,1-2,6-7H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
200 -9.29n/an/an/an/an/a7.530



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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM15616
PNG
(4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-...)
Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H17ClN4O/c19-14-5-3-4-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-6-1-2-7-23/h3-5,8-11,20H,1-2,6-7H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.80E+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
More data for this
Ligand-Target Pair