BDBM50097398 CHEMBL449216::HTS-9026

SMILES: NC(=O)c1nnc2ccccc2c1N

InChI Key: InChIKey=FCYPWSQPDXUBPV-UHFFFAOYSA-N

Data: 4 IC50  1 Kd

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 50097398   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50097398 (CHEMBL449216 | HTS-9026) Show SMILES NC(=O)c1nnc2ccccc2c1N Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in human Raji cells after 30 mins by HTRF assay				J Med Chem 58: 5437-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00734 BindingDB Entry DOI: 10.7270/Q25B047D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097398 (CHEMBL449216 | HTS-9026) Show SMILES NC(=O)c1nnc2ccccc2c1N Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of Lck (unknown origin)				J Med Chem 58: 5437-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00734 BindingDB Entry DOI: 10.7270/Q25B047D
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3 (Homo sapiens (Human))	BDBM50097398 (CHEMBL449216 | HTS-9026) Show SMILES NC(=O)c1nnc2ccccc2c1N Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay				Bioorg Med Chem Lett 26: 1086-9 (2016) BindingDB Entry DOI: 10.7270/Q28K7BXV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3 (Homo sapiens (Human))	BDBM50097398 (CHEMBL449216 | HTS-9026) Show SMILES NC(=O)c1nnc2ccccc2c1N Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Binding affinity to MKK3 (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1086-9 (2016) BindingDB Entry DOI: 10.7270/Q28K7BXV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6 (Homo sapiens (Human))	BDBM50097398 (CHEMBL449216 | HTS-9026) Show SMILES NC(=O)c1nnc2ccccc2c1N Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of MKK6 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay				Bioorg Med Chem Lett 26: 1086-9 (2016) BindingDB Entry DOI: 10.7270/Q28K7BXV
					More data for this Ligand-Target Pair