BDBM50404037 CHEMBL297627

SMILES: OC(=O)c1cc(ccc1C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N

InChI Key: InChIKey=CCMLYXNWTPSPTL-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50404037   

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))	BDBM50404037 (CHEMBL297627) Show SMILES OC(=O)c1cc(ccc1C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:50.56,c:12,16| Show InChI InChI=1S/C40H42N6O7/c41-25-45-40(43-14-5-19-52-30-7-4-6-26(20-30)24-46-17-2-1-3-18-46)44-16-15-42-38(49)27-8-11-31(34(21-27)39(50)51)37-32-12-9-28(47)22-35(32)53-36-23-29(48)10-13-33(36)37/h4,6-13,20-23,32,37,48H,1-3,5,14-19,24H2,(H,42,49)(H,50,51)(H2,43,44,45)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.61E+4	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium				Bioorg Med Chem Lett 13: 1717-20 (2003) BindingDB Entry DOI: 10.7270/Q2XW4M0X
					More data for this Ligand-Target Pair