BDBM50404824 CHEMBL302907

SMILES: NC(N)=Nc1nc(CSCCNc2ns(=O)nc2N)cs1

InChI Key: InChIKey=JDKAFLSRQPKFCQ-UHFFFAOYSA-N

Data: 2 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 = 50404824   

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
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50404824 (CHEMBL302907) Show SMILES NC(N)=Nc1nc(CSCCNc2ns(=O)nc2N)cs1 Show InChI InChI=1S/C9H14N8OS3/c10-6-7(17-21(18)16-6)13-1-2-19-3-5-4-20-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of Histamine H1 receptor in the isolated guinea pig ileum				J Med Chem 25: 210-2 (1982) BindingDB Entry DOI: 10.7270/Q2CR5VJ1
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50404824 (CHEMBL302907) Show SMILES NC(N)=Nc1nc(CSCCNc2ns(=O)nc2N)cs1 Show InChI InChI=1S/C9H14N8OS3/c10-6-7(17-21(18)16-6)13-1-2-19-3-5-4-20-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive antagonism of Histamine H2 receptor in the isolated guinea pig atrium				J Med Chem 25: 210-2 (1982) BindingDB Entry DOI: 10.7270/Q2CR5VJ1
					More data for this Ligand-Target Pair