BDBM50340888 (4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-nitrophenyl)methanone::CHEMBL1614763::{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone

SMILES: Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=YQRVBHMYUSGXHL-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50340888   

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 5 (CDK5) (Homo sapiens (Human))	BDBM50340888 ((4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-ni...) Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of CDK5/P25 using full length tau as substrate by colorimetric ELISA				Bioorg Med Chem Lett 21: 2098-101 (2011) Article DOI: 10.1016/j.bmcl.2011.01.140 BindingDB Entry DOI: 10.7270/Q2GT5NG8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50340888 ((4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-ni...) Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter				Bioorg Med Chem Lett 21: 2098-101 (2011) Article DOI: 10.1016/j.bmcl.2011.01.140 BindingDB Entry DOI: 10.7270/Q2GT5NG8
					More data for this Ligand-Target Pair				3D Structure (crystal)