BDBM50146596 CHEMBL3765054

SMILES: CNC(=O)NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NC(=O)NC)cc1

InChI Key: InChIKey=MHRCUJFWILOHPZ-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50146596   

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
Protein S100-B (Rattus norvegicus)	BDBM50146596 (CHEMBL3765054) Show SMILES CNC(=O)NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NC(=O)NC)cc1 Show InChI InChI=1S/C25H34N6O4/c1-28-24(32)30-22(26)18-8-12-20(13-9-18)34-16-6-4-3-5-7-17-35-21-14-10-19(11-15-21)23(27)31-25(33)29-2/h8-15H,3-7,16-17H2,1-2H3,(H3,26,28,30,32)(H3,27,29,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by fluorescence polarization competition assay				J Med Chem 59: 592-608 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair
Protein S100-B (Rattus norvegicus)	BDBM50146596 (CHEMBL3765054) Show SMILES CNC(=O)NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NC(=O)NC)cc1 Show InChI InChI=1S/C25H34N6O4/c1-28-24(32)30-22(26)18-8-12-20(13-9-18)34-16-6-4-3-5-7-17-35-21-14-10-19(11-15-21)23(27)31-25(33)29-2/h8-15H,3-7,16-17H2,1-2H3,(H3,26,28,30,32)(H3,27,29,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	8.95E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis				J Med Chem 59: 592-608 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PJQ
					More data for this Ligand-Target Pair