BDBM50053891 (9-Allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylmethyl)-amino]-piperidin-1-yl}-9H-purin-6-yl)-propyl-amine::CHEMBL336375

SMILES: CCCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12

InChI Key: InChIKey=LKPXXNMNRWSTMM-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 = 50053891   

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)	BDBM50053891 ((9-Allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d]cyclo...) Show SMILES CCCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C32H39N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h4-12,22,25,28,34H,2-3,13-21H2,1H3,(H,33,36,37)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	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
					More data for this Ligand-Target Pair