BDBM50394697 CHEMBL2165633

SMILES: Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C

InChI Key: InChIKey=SXTZAGJEUUYPRC-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50394697   

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 H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50394697 (CHEMBL2165633) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C28H48N10O2S2/c1-19-21(41-27(31)35-19)13-11-17-33-25(29)37-23(39)15-9-7-5-3-4-6-8-10-16-24(40)38-26(30)34-18-12-14-22-20(2)36-28(32)42-22/h3-18H2,1-2H3,(H2,31,35)(H2,32,36)(H3,29,33,37,39)(H3,30,34,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	275	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at H2R in spontaneously beating guinea pig right atrium assessed as increase in heart rate				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50394697 (CHEMBL2165633) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C28H48N10O2S2/c1-19-21(41-27(31)35-19)13-11-17-33-25(29)37-23(39)15-9-7-5-3-4-6-8-10-16-24(40)38-26(30)34-18-12-14-22-20(2)36-28(32)42-22/h3-18H2,1-2H3,(H2,31,35)(H2,32,36)(H3,29,33,37,39)(H3,30,34,38,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16.6	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50394697 (CHEMBL2165633) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C28H48N10O2S2/c1-19-21(41-27(31)35-19)13-11-17-33-25(29)37-23(39)15-9-7-5-3-4-6-8-10-16-24(40)38-26(30)34-18-12-14-22-20(2)36-28(32)42-22/h3-18H2,1-2H3,(H2,31,35)(H2,32,36)(H3,29,33,37,39)(H3,30,34,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.69	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair