BDBM50146592 CHEMBL3764285

SMILES: NCCCCCCCNC(=N)c1ccc(OCCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1

InChI Key: InChIKey=OGKJPEXCAMKJDJ-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 = 50146592   

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)	BDBM50146592 (CHEMBL3764285) Show SMILES NCCCCCCCNC(=N)c1ccc(OCCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1 Show InChI InChI=1S/C36H60N6O2/c37-25-11-5-3-7-13-27-41-35(39)31-17-21-33(22-18-31)43-29-15-9-1-2-10-16-30-44-34-23-19-32(20-24-34)36(40)42-28-14-8-4-6-12-26-38/h17-24H,1-16,25-30,37-38H2,(H2,39,41)(H2,40,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.60E+3	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)	BDBM50146592 (CHEMBL3764285) Show SMILES NCCCCCCCNC(=N)c1ccc(OCCCCCCCCOc2ccc(cc2)C(=N)NCCCCCCCN)cc1 Show InChI InChI=1S/C36H60N6O2/c37-25-11-5-3-7-13-27-41-35(39)31-17-21-33(22-18-31)43-29-15-9-1-2-10-16-30-44-34-23-19-32(20-24-34)36(40)42-28-14-8-4-6-12-26-38/h17-24H,1-16,25-30,37-38H2,(H2,39,41)(H2,40,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.83E+4	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