BDBM50306113 CHEMBL594083::N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[chroman-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide

SMILES: COC1CC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2ccccc2)Oc2ccccc12

InChI Key: InChIKey=RJTHOZRLXMDNHA-UHFFFAOYSA-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 = 50306113   

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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50306113 (CHEMBL594083 | N-(2-hydroxy-2-phenylethyl)-6-(4-me...) Show SMILES COC1CC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2ccccc2)Oc2ccccc12 Show InChI InChI=1S/C27H30N4O4/c1-34-24-17-27(35-23-10-6-5-9-20(23)24)13-15-31(16-14-27)25-12-11-21(29-30-25)26(33)28-18-22(32)19-7-3-2-4-8-19/h2-12,22,24,32H,13-18H2,1H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 20: 746-54 (2010) Article DOI: 10.1016/j.bmcl.2009.11.043 BindingDB Entry DOI: 10.7270/Q28C9WBJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50306113 (CHEMBL594083 | N-(2-hydroxy-2-phenylethyl)-6-(4-me...) Show SMILES COC1CC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2ccccc2)Oc2ccccc12 Show InChI InChI=1S/C27H30N4O4/c1-34-24-17-27(35-23-10-6-5-9-20(23)24)13-15-31(16-14-27)25-12-11-21(29-30-25)26(33)28-18-22(32)19-7-3-2-4-8-19/h2-12,22,24,32H,13-18H2,1H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in human 293A cells assessed as conversion of [14C]stearate to [14C]oleate after 60 mins in presence of S9 microsomal fraction				Bioorg Med Chem Lett 20: 746-54 (2010) Article DOI: 10.1016/j.bmcl.2009.11.043 BindingDB Entry DOI: 10.7270/Q28C9WBJ
					More data for this Ligand-Target Pair