BDBM50053898 Allyl-(9-allyl-6-{4-[(8-chloro-11-methyl-10,10-dioxo-10,11-dihydro-5H-10lambda*6*-thia-11-aza-dibenzo[a,d]cyclohepten-5-ylmethyl)-amino]-piperidin-1-yl}-9H-purin-2-yl)-amine::CHEMBL133118

SMILES: CN1c2ccccc2C(CNC2CCN(CC2)c2nc(NCC=C)nc3n(CC=C)cnc23)c2ccc(Cl)cc2S1(=O)=O

InChI Key: InChIKey=VDEZFHFFESVMPI-UHFFFAOYSA-N

Data: 1 KI

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 = 50053898   

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
Voltage-gated L-type calcium channel (Rattus norvegicus)	BDBM50053898 (Allyl-(9-allyl-6-{4-[(8-chloro-11-methyl-10,10-dio...) Show SMILES CN1c2ccccc2C(CNC2CCN(CC2)c2nc(NCC=C)nc3n(CC=C)cnc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C31H35ClN8O2S/c1-4-14-33-31-36-29(28-30(37-31)40(15-5-2)20-35-28)39-16-12-22(13-17-39)34-19-25-23-8-6-7-9-26(23)38(3)43(41,42)27-18-21(32)10-11-24(25)27/h4-11,18,20,22,25,34H,1-2,12-17,19H2,3H3,(H,33,36,37)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle				J Med Chem 39: 4099-108 (1996) Article DOI: 10.1021/jm960361i BindingDB Entry DOI: 10.7270/Q2Q81C52
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