BDBM50361469 CHEMBL1938764

SMILES: CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1

InChI Key: InChIKey=PHHKWHBPRKFKKF-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50361469   

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 14 (Homo sapiens (Human))	BDBM50361469 (CHEMBL1938764) Show SMILES CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1 Show InChI InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to p38alpha MAPK by surface plasmon resonance method				J Med Chem 54: 7797-814 (2011) Article DOI: 10.1021/jm200677b BindingDB Entry DOI: 10.7270/Q2HX1D4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50361469 (CHEMBL1938764) Show SMILES CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1 Show InChI InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to P38alpha MAPK (unknown origin) assessed as dissociation constant				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50361469 (CHEMBL1938764) Show SMILES CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1 Show InChI InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624
					More data for this Ligand-Target Pair				3D Structure (crystal)