BDBM123497 US8748435, 22

SMILES: CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCN(CC2)C(=O)[C@H]2NCC[C@H]2O)cc1

InChI Key: InChIKey=OWWFLJIGZBQIJT-FTJBHMTQSA-N

Data: 1 IC50

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 = 123497   

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
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123497 (US8748435, 22) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCN(CC2)C(=O)[C@H]2NCC[C@H]2O)cc1 |r| Show InChI InChI=1S/C28H37N5O3/c1-4-24-23(27-30-18(2)15-19(3)33(27)31-24)16-20-5-7-22(8-6-20)36-17-21-10-13-32(14-11-21)28(35)26-25(34)9-12-29-26/h5-8,15,21,25-26,29,34H,4,9-14,16-17H2,1-3H3/t25-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair