BDBM59169 BT1

SMILES: COC(=O)[C@@H](CC(=O)c1cccc(c1)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=YXJPUPKSTJAJAT-DNQXCXABSA-N

Data: 1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 59169   

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
Calmodulin (Homo sapiens (Human))	BDBM59169 (BT1) Show SMILES COC(=O)[C@@H](CC(=O)c1cccc(c1)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H32N2O6/c1-41-33(39)23(15-25-19-35-29-12-5-3-10-27(25)29)17-31(37)21-8-7-9-22(14-21)32(38)18-24(34(40)42-2)16-26-20-36-30-13-6-4-11-28(26)30/h3-14,19-20,23-24,35-36H,15-18H2,1-2H3/t23-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
University of Sheffield					Assay Description Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.				Chem Biol 12: 89-97 (2005) Article DOI: 10.1016/j.chembiol.2004.11.007 BindingDB Entry DOI: 10.7270/Q22B8WGR
					More data for this Ligand-Target Pair