BDBM50388703 CHEMBL2057336

SMILES: Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)nn1

InChI Key: InChIKey=UCIZAIFZGCLTCQ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50388703   

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))	BDBM50388703 (CHEMBL2057336) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)nn1 Show InChI InChI=1S/C24H21N5O2/c1-16-5-6-18(21-11-12-23(25)29-28-21)14-22(16)27-24(30)17-7-9-20(10-8-17)31-15-19-4-2-3-13-26-19/h2-14H,15H2,1H3,(H2,25,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 4907-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50388703 (CHEMBL2057336) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)nn1 Show InChI InChI=1S/C24H21N5O2/c1-16-5-6-18(21-11-12-23(25)29-28-21)14-22(16)27-24(30)17-7-9-20(10-8-17)31-15-19-4-2-3-13-26-19/h2-14H,15H2,1H3,(H2,25,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis				Bioorg Med Chem Lett 22: 4907-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG
					More data for this Ligand-Target Pair