BDBM50031640 1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarboxylic acid::CHEMBL81444

SMILES: CC(C)c1c(O)c(O)c(C(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(O)=O)c2c1O

InChI Key: InChIKey=MMKNWBMJKJNGMO-UHFFFAOYSA-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 = 50031640   

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
Serum albumin (Homo sapiens (Human))	BDBM50031640 (1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-d...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(O)=O)c2c1O |(15.33,-8.22,;16.66,-7.45,;18.01,-8.22,;16.66,-5.91,;18,-5.13,;19.34,-5.91,;17.98,-3.57,;19.32,-2.8,;16.65,-2.82,;16.63,-1.28,;15.3,-.52,;17.96,-.49,;15.31,-3.6,;13.99,-2.83,;14,-1.29,;12.65,-3.6,;12.65,-5.14,;11.32,-5.91,;13.99,-5.91,;15.31,-5.14,;7.49,-3.66,;7.49,-5.21,;8.83,-5.98,;6.16,-5.98,;4.82,-5.21,;3.48,-6,;3.5,-7.54,;4.82,-8.31,;2.16,-8.31,;2.16,-5.23,;.81,-6,;2.16,-3.69,;.81,-2.9,;3.48,-2.9,;3.48,-1.36,;4.81,-.59,;2.13,-.61,;4.82,-3.67,;6.14,-2.9,;6.14,-1.36,)| Show InChI InChI=1S/C30H30O10/c1-9(2)15-13-7-11(5)17(23(31)19(13)21(29(37)38)27(35)25(15)33)18-12(6)8-14-16(10(3)4)26(34)28(36)22(30(39)40)20(14)24(18)32/h7-10,31-36H,1-6H3,(H,37,38)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description Compound was tested for binding activity to human serum albumin (HSA)				J Med Chem 38: 2427-32 (1995) BindingDB Entry DOI: 10.7270/Q2833R28
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