BDBM50394401 CHEMBL2160071

SMILES: C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1

InChI Key: InChIKey=ISCMIYUTBPBNHO-BGYRXZFFSA-N

Data: 2 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 2 hits for monomerid = 50394401   

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 (Mus musculus)	BDBM50394401 (CHEMBL2160071) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)23-9-10-24-27(12-13-32-28(24)15-23)34-22-8-11-26(31)25(14-22)30-33-16-29(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...				Bioorg Med Chem Lett 22: 6573-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.013 BindingDB Entry DOI: 10.7270/Q2RB75PK
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50394401 (CHEMBL2160071) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)23-9-10-24-27(12-13-32-28(24)15-23)34-22-8-11-26(31)25(14-22)30-33-16-29(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prio...				Bioorg Med Chem Lett 22: 6573-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.013 BindingDB Entry DOI: 10.7270/Q2RB75PK
					More data for this Ligand-Target Pair