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BDBM50395272 CHEMBL1231206

SMILES: C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccc(C)nc2)C(=O)N1

InChI Key: InChIKey=CMWRPDHVGMHLSZ-GFCCVEGCSA-N

Data: 1 KI 3 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50395272
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395272 (CHEMBL1231206) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of recombinant MK2 (45 to 400 residues) (unknown origin) using fluorescein isothiocyanate-KKKALSRQLSVAA as substrate				Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395272 (CHEMBL1231206) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant MAPKAP-K2 using KKKALSRQLSVAA as substrate after 4 mins by surface plasmon resonance spectroscopic analysis				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
Teijin Pharma Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (BSEP) (Homo sapiens (Human))	BDBM50395272 (CHEMBL1231206) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in recombinant baculovirus infected insect Sf9 cell membrane vesicles assessed as [3H]-taurocholate transport prei...				J Med Chem 59: 3609-34 (2016) BindingDB Entry DOI: 10.7270/Q2D50PW0
Universit£ di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395272 (CHEMBL1231206) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of MK2 in human U937 cells assessed as reduction in LPS-stimulated HSP27 phosphorylation at Ser82 preincubated for 1 hr followed by LPS ad...				J Med Chem 59: 3609-34 (2016) BindingDB Entry DOI: 10.7270/Q2D50PW0
Universit£ di Siena Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)