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BDBM92080 erk000507

SMILES: CC[C@@H](CO)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1

InChI Key: InChIKey=GFHDSVUCETUKHU-PKOBYXMFSA-N

Data: 2 KI

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 2 hits for monomerid = 92080   
Target
(Institution)
LigandTarget
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
MAP kinase ERK2


(Homo sapiens (human))
BDBM92080
PNG
(erk000507)
Show SMILES CC[C@@H](CO)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClN5O3/c1-3-17(11-29)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(31)27-19(12-30)14-5-4-6-16(23)7-14/h4-10,17,19,24,29-30H,3,11-12H2,1-2H3,(H,27,31)(H,25,26,28)/t17-,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
D3R
2n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase ERK2


(Homo sapiens (human))
BDBM92080
PNG
(erk000507)
Show SMILES CC[C@@H](CO)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClN5O3/c1-3-17(11-29)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(31)27-19(12-30)14-5-4-6-16(23)7-14/h4-10,17,19,24,29-30H,3,11-12H2,1-2H3,(H,27,31)(H,25,26,28)/t17-,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
2n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)