BDBM202516 US9238658, 39

SMILES: NC(=O)c1cccc(NC(=O)N2CCC(CC2)n2ncc3c(F)cccc23)c1

InChI Key: InChIKey=FAUIJXRMMDMUJD-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 = 202516   

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 (Rattus norvegicus (Rat))	BDBM202516 (US9238658, 39) Show SMILES NC(=O)c1cccc(NC(=O)N2CCC(CC2)n2ncc3c(F)cccc23)c1 Show InChI InChI=1S/C20H20FN5O2/c21-17-5-2-6-18-16(17)12-23-26(18)15-7-9-25(10-8-15)20(28)24-14-4-1-3-13(11-14)19(22)27/h1-6,11-12,15H,7-10H2,(H2,22,27)(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM202516 (US9238658, 39) Show SMILES NC(=O)c1cccc(NC(=O)N2CCC(CC2)n2ncc3c(F)cccc23)c1 Show InChI InChI=1S/C20H20FN5O2/c21-17-5-2-6-18-16(17)12-23-26(18)15-7-9-25(10-8-15)20(28)24-14-4-1-3-13(11-14)19(22)27/h1-6,11-12,15H,7-10H2,(H2,22,27)(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
					More data for this Ligand-Target Pair