BDBM50388713 CHEMBL2059872

SMILES: Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc(CN2CCOCC2)s1

InChI Key: InChIKey=FPCRNQDPAAFAKL-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50388713   

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
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50388713 (CHEMBL2059872) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc(CN2CCOCC2)s1 Show InChI InChI=1S/C28H28N4O3S/c1-20-5-6-22(28-30-17-25(36-28)18-32-12-14-34-15-13-32)16-26(20)31-27(33)21-7-9-24(10-8-21)35-19-23-4-2-3-11-29-23/h2-11,16-17H,12-15,18-19H2,1H3,(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay				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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50388713 (CHEMBL2059872) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc(CN2CCOCC2)s1 Show InChI InChI=1S/C28H28N4O3S/c1-20-5-6-22(28-30-17-25(36-28)18-32-12-14-34-15-13-32)16-26(20)31-27(33)21-7-9-24(10-8-21)35-19-23-4-2-3-11-29-23/h2-11,16-17H,12-15,18-19H2,1H3,(H,31,33)	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	3.00E+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))	BDBM50388713 (CHEMBL2059872) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc(CN2CCOCC2)s1 Show InChI InChI=1S/C28H28N4O3S/c1-20-5-6-22(28-30-17-25(36-28)18-32-12-14-34-15-13-32)16-26(20)31-27(33)21-7-9-24(10-8-21)35-19-23-4-2-3-11-29-23/h2-11,16-17H,12-15,18-19H2,1H3,(H,31,33)	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	>145	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