BDBM50032745 CHEMBL3355165

SMILES: Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1

InChI Key: InChIKey=XMZFQCOWVFCHQO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50032745   

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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50032745 (CHEMBL3355165) Show SMILES Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1 Show InChI InChI=1S/C23H19ClN6O2/c1-15-11-17(9-10-25-15)27-22(31)16-5-4-6-19(12-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	866	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK3 in human SH-SY5Y cells assessed as reduction in c-Jun phosphorylation by Western blot assay				J Med Chem 57: 10013-30 (2014) Article DOI: 10.1021/jm501256y BindingDB Entry DOI: 10.7270/Q25140TS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50032745 (CHEMBL3355165) Show SMILES Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1 Show InChI InChI=1S/C23H19ClN6O2/c1-15-11-17(9-10-25-15)27-22(31)16-5-4-6-19(12-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK2 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay				J Med Chem 57: 10013-30 (2014) Article DOI: 10.1021/jm501256y BindingDB Entry DOI: 10.7270/Q25140TS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50032745 (CHEMBL3355165) Show SMILES Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1 Show InChI InChI=1S/C23H19ClN6O2/c1-15-11-17(9-10-25-15)27-22(31)16-5-4-6-19(12-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay				J Med Chem 57: 10013-30 (2014) Article DOI: 10.1021/jm501256y BindingDB Entry DOI: 10.7270/Q25140TS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50032745 (CHEMBL3355165) Show SMILES Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1 Show InChI InChI=1S/C23H19ClN6O2/c1-15-11-17(9-10-25-15)27-22(31)16-5-4-6-19(12-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay				J Med Chem 57: 10013-30 (2014) Article DOI: 10.1021/jm501256y BindingDB Entry DOI: 10.7270/Q25140TS
					More data for this Ligand-Target Pair				3D Structure (crystal)