BDBM181128 US9138393, Diltiazem

SMILES: COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(C)N(C)C)C(=O)[C@@H]1OC(C)=O

InChI Key: InChIKey=YHPPHZYGGIUDFA-RVZKLOPMSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 181128   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM181128 (US9138393, Diltiazem) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(C)N(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-14(23(3)4)24-18-8-6-7-9-19(18)29-21(20(22(24)26)28-15(2)25)16-10-12-17(27-5)13-11-16/h6-14,20-21H,1-5H3/t14?,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM181128 (US9138393, Diltiazem) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(C)N(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-14(23(3)4)24-18-8-6-7-9-19(18)29-21(20(22(24)26)28-15(2)25)16-10-12-17(27-5)13-11-16/h6-14,20-21H,1-5H3/t14?,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.48E+4	n/a	n/a	7.3	22
Korea Institute of Science and Technology					Assay Description The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...				Chem Biol Drug Des 88: 807-819 (2016) Article DOI: 10.1111/cbdd.12810 BindingDB Entry DOI: 10.7270/Q2S181B1
					More data for this Ligand-Target Pair