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BDBM92246 erk000715

SMILES: CC[C@@H](COC(=O)[C@@H]([NH2+]C)C(C)C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](COC(=O)[C@@H]([NH2+]C)C(C)C)c1cccc(Cl)c1

InChI Key: InChIKey=KIRRQJQTNDYTKP-JKWLULBVSA-P

Data: 2 KI

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 = 92246   
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))
BDBM92246
PNG
(erk000715)
Show SMILES CC[C@@H](COC(=O)[C@@H]([NH2+]C)C(C)C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](COC(=O)[C@@H]([NH2+]C)C(C)C)c1cccc(Cl)c1
Show InChI InChI=1S/C34H48ClN7O5/c1-9-25(17-46-32(44)28(36-7)19(2)3)40-34-39-15-21(6)30(42-34)23-14-26(38-16-23)31(43)41-27(22-11-10-12-24(35)13-22)18-47-33(45)29(37-8)20(4)5/h10-16,19-20,25,27-29,36-38H,9,17-18H2,1-8H3,(H,41,43)(H,39,40,42)/p+2/t25-,27+,28-,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.91E+3n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)


Article DOI: 10.1021/acs.biochem.6b00786
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM92246
PNG
(erk000715)
Show SMILES CC[C@@H](COC(=O)[C@@H]([NH2+]C)C(C)C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](COC(=O)[C@@H]([NH2+]C)C(C)C)c1cccc(Cl)c1
Show InChI InChI=1S/C34H48ClN7O5/c1-9-25(17-46-32(44)28(36-7)19(2)3)40-34-39-15-21(6)30(42-34)23-14-26(38-16-23)31(43)41-27(22-11-10-12-24(35)13-22)18-47-33(45)29(37-8)20(4)5/h10-16,19-20,25,27-29,36-38H,9,17-18H2,1-8H3,(H,41,43)(H,39,40,42)/p+2/t25-,27+,28-,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

D3R
1.91E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair