BDBM50146593 CHEMBL3764851

SMILES: NCCCCCCCNC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1

InChI Key: InChIKey=GJBQMQYKQVOGTJ-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 = 50146593   

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)	BDBM50146593 (CHEMBL3764851) Show SMILES NCCCCCCCNC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1 Show InChI InChI=1S/C35H58N6O2/c36-24-10-4-1-6-12-26-40-34(38)30-16-20-32(21-17-30)42-28-14-8-3-9-15-29-43-33-22-18-31(19-23-33)35(39)41-27-13-7-2-5-11-25-37/h16-23H,1-15,24-29,36-37H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	500	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
Protein S100-B (Rattus norvegicus)	BDBM50146593 (CHEMBL3764851) Show SMILES NCCCCCCCNC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1 Show InChI InChI=1S/C35H58N6O2/c36-24-10-4-1-6-12-26-40-34(38)30-16-20-32(21-17-30)42-28-14-8-3-9-15-29-43-33-22-18-31(19-23-33)35(39)41-27-13-7-2-5-11-25-37/h16-23H,1-15,24-29,36-37H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+3	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