BindingDB PrimarySearch

BDBM50363645 DEBROMOHYMENIALDISINE

SMILES: NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12

InChI Key: InChIKey=JYRJOQGKGMHTOO-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50363645
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 Chk1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Chk1				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	725	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
Michigan State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay				Bioorg Med Chem 20: 1475-81 (2012) Article DOI: 10.1016/j.bmc.2011.12.054 BindingDB Entry DOI: 10.7270/Q20865RK
Michigan State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	725	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method				Eur J Med Chem 126: 754-761 (2017) BindingDB Entry DOI: 10.7270/Q2S75JJV
Comenius University in Bratislava Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
University of Utah Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Chk2				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of CHK2 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method				Eur J Med Chem 126: 754-761 (2017) BindingDB Entry DOI: 10.7270/Q2S75JJV
Comenius University in Bratislava Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	824	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
University of Utah Curated by ChEMBL					More data for this Ligand-Target Pair