BindingDB PrimarySearch

BDBM31545 Milciclib::pyrazolo[4,3-h]quinazoline-3-carboxamide, 28

SMILES: CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21

InChI Key: InChIKey=RXZMYLDMFYNEIM-UHFFFAOYSA-N

Data: 21 IC50 4 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 31545
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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.4	23
Nerviano Medical Sciences Srl					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...				J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	23
Nerviano Medical Sciences Srl					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...				J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.5	23
Nerviano Medical Sciences Srl					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...				J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	25
Nerviano Medical Sciences Srl					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...				J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	25
Nerviano Medical Sciences Srl					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...				J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	25
Nerviano Medical Sciences Srl					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...				J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...				ACS Chem Biol 11: 3400-3411 (2016) Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M
Technical University of Munich					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee1 kinase domain (291 to 575 residues) expressed in Escherichia coli BL21 (DE3) by iso...				J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged Myt1 kinase domain (75 to 361 residues) by isothermal titration calorimetry				J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Wee1-like protein kinase 2 (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain (202 to 492 residues) expressed in Escherichia coli BL21 (DE3) by iso...				J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 142: 424-458 (2017) Article DOI: 10.1016/j.ejmech.2017.08.071 BindingDB Entry DOI: 10.7270/Q2S1856W
Central University of Punjab Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK5/p35 (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK7/cyclin H (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	7.4	23
Nerviano Medical Sciences Srl					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...				J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair