BDBM234709 US9353102, 4.15

SMILES: Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1

InChI Key: InChIKey=MZJLCMWYWDNXAI-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 = 234709   

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
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM234709 (US9353102, 4.15) Show SMILES Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1 |t:8,(-4.49,.69,;-3.16,-.08,;-3.16,-1.62,;-1.7,-2.1,;-.79,-.85,;.75,-.85,;1.52,-2.18,;.75,-3.52,;3.06,-2.18,;4.15,-3.27,;5.64,-2.87,;6.03,-1.39,;4.95,-.3,;3.46,-.7,;4.95,-1.09,;4.15,-2.48,;3.75,-4.76,;2.26,-5.16,;4.84,-5.85,;-1.7,.4,;-.93,1.73,;.54,2.21,;.54,3.75,;-.93,4.22,;-1.83,2.98,;1.87,4.52,;3.41,4.52,;2.64,5.85,;-4.49,-2.39,;-6.03,-2.39,;-5.26,-3.72,)| Show InChI InChI=1S/C23H25N3O3S2/c1-10-15(22-24-19(26-31-22)14-8-9-14)21(30-18(10)13-6-7-13)25-20(27)16-11-2-4-12(5-3-11)17(16)23(28)29/h11-14H,2-9H2,1H3,(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 μM to 0.003 μM final comp...				US Patent US9353102 (2016) BindingDB Entry DOI: 10.7270/Q23F4NH4
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM234709 (US9353102, 4.15) Show SMILES Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1 |t:8,(-4.49,.69,;-3.16,-.08,;-3.16,-1.62,;-1.7,-2.1,;-.79,-.85,;.75,-.85,;1.52,-2.18,;.75,-3.52,;3.06,-2.18,;4.15,-3.27,;5.64,-2.87,;6.03,-1.39,;4.95,-.3,;3.46,-.7,;4.95,-1.09,;4.15,-2.48,;3.75,-4.76,;2.26,-5.16,;4.84,-5.85,;-1.7,.4,;-.93,1.73,;.54,2.21,;.54,3.75,;-.93,4.22,;-1.83,2.98,;1.87,4.52,;3.41,4.52,;2.64,5.85,;-4.49,-2.39,;-6.03,-2.39,;-5.26,-3.72,)| Show InChI InChI=1S/C23H25N3O3S2/c1-10-15(22-24-19(26-31-22)14-8-9-14)21(30-18(10)13-6-7-13)25-20(27)16-11-2-4-12(5-3-11)17(16)23(28)29/h11-14H,2-9H2,1H3,(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 μM to 0.003 μM final comp...				US Patent US9353102 (2016) BindingDB Entry DOI: 10.7270/Q23F4NH4
					More data for this Ligand-Target Pair