BindingDB PrimarySearch

BDBM50188913 CHEMBL213618::N-((S)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide::N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE

SMILES: CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl

InChI Key: InChIKey=HHOVRZGUSBMKKU-ZDUSSCGKSA-N

Data: 13 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50188913
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
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of Kit				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of PKA				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of PKCa				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CamK2alpha				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Activity against AKT-mediated PRAS40 T246P phosphorylation in human DOV13 cell line				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Activity against AKT-mediated S6RP S235/236P phosphorylation in human DOV13 cell line				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of GSK3				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of Met				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of AKT2				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of AKT1				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of RAF1				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of ERK1				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50188913 (CHEMBL213618 \| N-((S)-1-amino-3-(2,4-dichloropheny...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Activity against AKT-mediated GSK3 S9P phosphorylation in human DOV13 cell line				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair