SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.8
BDBM50079331

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Wt: 401.8
BDBM50403757

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Wt: 401.8
BDBM50600029

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

Found 11 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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50600029 (CHEMBL8817) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02190 BindingDB Entry DOI: 10.7270/Q2BV7MPD
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50600029 (CHEMBL8817) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02190 BindingDB Entry DOI: 10.7270/Q2BV7MPD
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50079331 (2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
GPC Biotech, Inc.					Assay Description Inhibition of in vitro kinase activity of purified CDKs.				Chem Biol 12: 1103-15 (2005) Article DOI: 10.1016/j.chembiol.2005.08.008 BindingDB Entry DOI: 10.7270/Q28W3BR6
GPC Biotech, Inc.					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50600029 (CHEMBL8817) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02190 BindingDB Entry DOI: 10.7270/Q2BV7MPD
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50079331 (2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
GPC Biotech, Inc.					Assay Description Inhibition of HCT116 cell proliferation after 72hr of incubation with compounds was determined by SRB Assay.				Chem Biol 12: 1103-15 (2005) Article DOI: 10.1016/j.chembiol.2005.08.008 BindingDB Entry DOI: 10.7270/Q28W3BR6
GPC Biotech, Inc.					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50079331 (2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-m...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universität Hamburg Curated by ChEMBL					Assay Description In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes.				J Med Chem 42: 2909-19 (1999) Article DOI: 10.1021/jm9900570 BindingDB Entry DOI: 10.7270/Q21C1W2R
Universität Hamburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50079331 (2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	485	n/a	n/a	n/a	n/a	n/a	n/a
GPC Biotech, Inc.					Assay Description Inhibition of in vitro kinase activity of purified CDKs.				Chem Biol 12: 1103-15 (2005) Article DOI: 10.1016/j.chembiol.2005.08.008 BindingDB Entry DOI: 10.7270/Q28W3BR6
GPC Biotech, Inc.					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50079331 (2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-m...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	663	n/a	n/a	n/a	n/a	n/a	n/a
GPC Biotech, Inc.					Assay Description Inhibition of in vitro kinase activity of purified CDKs.				Chem Biol 12: 1103-15 (2005) Article DOI: 10.1016/j.chembiol.2005.08.008 BindingDB Entry DOI: 10.7270/Q28W3BR6
GPC Biotech, Inc.					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50079331 (2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-m...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
GPC Biotech, Inc.					Assay Description Inhibition of in vitro kinase activity of purified CDKs.				Chem Biol 12: 1103-15 (2005) Article DOI: 10.1016/j.chembiol.2005.08.008 BindingDB Entry DOI: 10.7270/Q28W3BR6
GPC Biotech, Inc.					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM50403757 (CHEMBL1709089) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitotix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin-dependent kinase 1-cyclin B				Bioorg Med Chem Lett 10: 1037-41 (2000) BindingDB Entry DOI: 10.7270/Q2959J22
Mitotix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50403757 (CHEMBL1709089) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitotix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against cyclin-dependent kinase 4-cyclin D1				Bioorg Med Chem Lett 10: 1037-41 (2000) BindingDB Entry DOI: 10.7270/Q2959J22
Mitotix Inc. Curated by ChEMBL					More data for this Ligand-Target Pair