BDBM50352422 CHEMBL1823616

SMILES: Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl

InChI Key: InChIKey=IQXSYOGKVODARC-UHFFFAOYSA-N

Data: 3 IC50

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 = 50352422   

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
Smoothened homolog (Homo sapiens (Human))	BDBM50352422 (CHEMBL1823616) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C22H21ClN6O2/c1-28-18-9-5-4-8-17(18)24-20(28)19-26-21(31-27-19)14-10-12-29(13-11-14)22(30)25-16-7-3-2-6-15(16)23/h2-9,14H,10-13H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50352422 (CHEMBL1823616) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C22H21ClN6O2/c1-28-18-9-5-4-8-17(18)24-20(28)19-26-21(31-27-19)14-10-12-29(13-11-14)22(30)25-16-7-3-2-6-15(16)23/h2-9,14H,10-13H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Transcriptional regulator ERG (Homo sapiens (Human))	BDBM50352422 (CHEMBL1823616) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C22H21ClN6O2/c1-28-18-9-5-4-8-17(18)24-20(28)19-26-21(31-27-19)14-10-12-29(13-11-14)22(30)25-16-7-3-2-6-15(16)23/h2-9,14H,10-13H2,1H3,(H,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair