BDBM50392976 CHEMBL2152376

SMILES: Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1

InChI Key: InChIKey=UKWNCRJUNWWVSK-SZQTVFEFSA-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 = 50392976   

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)	BDBM50392976 (CHEMBL2152376) Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1 |r,t:12| Show InChI InChI=1S/C26H29ClN2O4/c27-22-13-11-20(12-14-22)17-28-25(31)16-21-9-5-2-6-10-24(30)29-23(18-33-26(21)32)15-19-7-3-1-4-8-19/h1-5,7-8,11-14,21,23H,6,9-10,15-18H2,(H,28,31)(H,29,30)/b5-2+/t21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase repo...				ACS Med Chem Lett 3: 808-813 (2012) Article DOI: 10.1021/ml300172p BindingDB Entry DOI: 10.7270/Q26111D0
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50392976 (CHEMBL2152376) Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1 |r,t:12| Show InChI InChI=1S/C26H29ClN2O4/c27-22-13-11-20(12-14-22)17-28-25(31)16-21-9-5-2-6-10-24(30)29-23(18-33-26(21)32)15-19-7-3-1-4-8-19/h1-5,7-8,11-14,21,23H,6,9-10,15-18H2,(H,28,31)(H,29,30)/b5-2+/t21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by B...				ACS Med Chem Lett 3: 808-813 (2012) Article DOI: 10.1021/ml300172p BindingDB Entry DOI: 10.7270/Q26111D0
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50392976 (CHEMBL2152376) Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1 |r,t:12| Show InChI InChI=1S/C26H29ClN2O4/c27-22-13-11-20(12-14-22)17-28-25(31)16-21-9-5-2-6-10-24(30)29-23(18-33-26(21)32)15-19-7-3-1-4-8-19/h1-5,7-8,11-14,21,23H,6,9-10,15-18H2,(H,28,31)(H,29,30)/b5-2+/t21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity				ACS Med Chem Lett 3: 808-813 (2012) Article DOI: 10.1021/ml300172p BindingDB Entry DOI: 10.7270/Q26111D0
					More data for this Ligand-Target Pair