BDBM24637 2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole::JMC52379 Compound 5::pyrazole-benzimidazole, 16

SMILES: c1cc(n[nH]1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=IYTGPPNUOLLGBE-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 24637   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM24637 (2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...) Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....				J Med Chem 51: 4986-99 (2008) Article DOI: 10.1021/jm800382h BindingDB Entry DOI: 10.7270/Q24X563W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24637 (2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...) Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	7.0	22
Astex					Assay Description Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...				J Med Chem 52: 379-88 (2009) Article DOI: 10.1021/jm800984v BindingDB Entry DOI: 10.7270/Q2P55KT7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM24637 (2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...) Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	8.5	22
Astex					Assay Description Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...				J Med Chem 52: 379-88 (2009) Article DOI: 10.1021/jm800984v BindingDB Entry DOI: 10.7270/Q2P55KT7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM24637 (2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...) Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM24637 (2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...) Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description CDK2/cyclinA activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...				J Med Chem 52: 379-88 (2009) Article DOI: 10.1021/jm800984v BindingDB Entry DOI: 10.7270/Q2P55KT7
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24637 (2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...) Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM24637 (2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...) Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...				J Med Chem 52: 379-88 (2009) Article DOI: 10.1021/jm800984v BindingDB Entry DOI: 10.7270/Q2P55KT7
					More data for this Ligand-Target Pair