Compounds in cluster

14 similar compounds to monomer 50243262

Wt: 291.3 BDBM50026043	Wt: 264.2 BDBM50325144	Wt: 265.2 BDBM50325145	Wt: 291.3 BDBM50325143	Wt: 318.3 BDBM50325155
Wt: 300.3 BDBM50325159	Wt: 290.3 BDBM50325160	Wt: 318.3 BDBM50325165	Wt: 314.3 BDBM50325166	Wt: 319.3 BDBM50325167
Wt: 305.3 BDBM50325168	Wt: 305.3 BDBM50325169	Wt: 276.2 BDBM50325171	Wt: 292.2 BDBM50379571

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50026043,50325144,50325145,50325143,50325155,50325159,50325160,50325165,50325166,50325167,50325168,50325169,50325171,50379571
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325167 (8-(4-(methoxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50379571 (CHEMBL2012884) Show SMILES OCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50026043 (CHEMBL1223166) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325166 (2-(4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325165 (5-methyl-8-(4-((methylamino)methyl)phenyl)-[1,2,4]...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325145 (5-methyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325155 (4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325171 (5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINO...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325169 (8-(4-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325168 (8-(3-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325143 (8-(3-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325160 (8-(2-aminophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]q...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccccc1N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325159 (4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325169 (8-(4-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325144 (5-methyl-8-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
AstraZeneca R&D Boston Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)