Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 291.7 BDBM50338520

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50338520 (1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...) Show SMILES Cc1c(ncn1Cc1ccc(Cl)cc1)C(=O)NC(N)=N Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver SCD1 assessed as formation of deuterated oleoylCoA by HTMS assay				Bioorg Med Chem Lett 21: 1621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.113 BindingDB Entry DOI: 10.7270/Q2571C9J
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50338520 (1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...) Show SMILES Cc1c(ncn1Cc1ccc(Cl)cc1)C(=O)NC(N)=N Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver SCD1 using [3H]-stearoylCoA				Bioorg Med Chem Lett 21: 1621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.113 BindingDB Entry DOI: 10.7270/Q2571C9J
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50338520 (1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...) Show SMILES Cc1c(ncn1Cc1ccc(Cl)cc1)C(=O)NC(N)=N Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human SCD1				Bioorg Med Chem Lett 21: 1621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.113 BindingDB Entry DOI: 10.7270/Q2571C9J
					More data for this Ligand-Target Pair