null

SMILES: c1n[nH]c2ccccc12

InChI Key: InChIKey=BAXOFTOLAUCFNW-UHFFFAOYSA-N

PDB links: 9 PDB IDs match this monomer. 45 PDB IDs contain this monomer as substructures. 45 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 9 hits for monomerid = 24627   

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-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.85E+5	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				3D Structure (crystal)
DNA repair and recombination protein RadA (Pyrococcus furiosus)	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a
University of Cambridge					Assay Description The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...				Chembiochem 14: 332-42 (2013) Article DOI: 10.1002/cbic.201200521 BindingDB Entry DOI: 10.7270/Q2QF8RHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin) by radiometric filter binding assay				Bioorg Med Chem Lett 25: 3420-35 (2015) BindingDB Entry DOI: 10.7270/Q2736SQ1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
UNED Curated by ChEMBL					Assay Description Inhibition of recombinant NOS1 assessed as citrulline formation				Bioorg Med Chem 17: 6180-7 (2009) Article DOI: 10.1016/j.bmc.2009.07.067 BindingDB Entry DOI: 10.7270/Q2ZG6SBD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 54: 5131-43 (2011) Article DOI: 10.1021/jm200349b BindingDB Entry DOI: 10.7270/Q2F47PHP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	5.30E+6	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturbation by NMR spectroscopy				Bioorg Med Chem Lett 21: 5778-83 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.08.001 BindingDB Entry DOI: 10.7270/Q2QJ7HQX
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.011
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24627 (1H-indazole | Indazole, 5 | Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of AKT1 expressed in Escherichia coli or baculovirus-infected insect cells by scintillation proximity assay				J Med Chem 54: 5131-43 (2011) Article DOI: 10.1021/jm200349b BindingDB Entry DOI: 10.7270/Q2F47PHP
					More data for this Ligand-Target Pair