SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 260.2
BDBM50274761

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of recombinant human PIM1 using CREBtide as substrate after 60 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of mouse CLK1 using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 30 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of rat Dyrk1a using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 30 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK2/Cyclin A using ATP and Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 30 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Sus scrofa)	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of pig GSK3beta using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 90 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/CyclinT using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 90 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Sus scrofa)	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of pig CK1epsilon using Ulight-ARTKQTARKSTGGKAPRKQLAGCG as substrate after 60 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of human Aurora-B using full-length histone H3 as substrate after 10 mins				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase 1, delta tv1 (Sus scrofa)	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of pig CK1delta				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
[Tau protein] kinase (Sus scrofa)	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of pig GSK3alpha using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 60 mins by LANCE assay				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of human haspin using full-length histone H3 as substrate after 10 mins				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50274761 (CHEMBL4127885) Show SMILES NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of human CDK5/p25				Bioorg Med Chem Lett 28: 2250-2255 (2018) Article DOI: 10.1016/j.bmcl.2018.05.044 BindingDB Entry DOI: 10.7270/Q2G44SSP
Universit£ de Nantes Curated by ChEMBL					More data for this Ligand-Target Pair