BDBM39302 CHEMBL228792::MLS000101228::N-(2-furanylmethyl)-7H-purin-6-amine::N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE::N-(furan-2-ylmethyl)-9H-purin-6-amine::SMR000017633::cid_3830::kinetin

SMILES: C(Nc1ncnc2nc[nH]c12)c1ccco1

InChI Key: InChIKey=QANMHLXAZMSUEX-UHFFFAOYSA-N

Data: 1 KI  3 IC50

PDB links: 8 PDB IDs match 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 4 hits for monomerid = 39302   

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
Endochitinase (Saccharomyces cerevisiae)	BDBM39302 (CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...) Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1 Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae CTS1				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acidic mammalian chitinase (AMCase) (Homo sapiens (Human))	BDBM39302 (CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...) Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1 Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human chitinase				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM39302 (CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...) Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1 Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F769ZM
					More data for this Ligand-Target Pair
Chitinase (chiA1) (Neosartorya fumigata (Aspergillus fumigatus))	BDBM39302 (CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...) Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1 Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair