BDBM50010448 2,2'-Diimino-5,5'-diisopropyl-7,7'-dimethyl-2H,2'H-[8,8']bi[naphtho[1,8-bc]furanyl]-3,4,3',4'-tetraol::CHEMBL424250

SMILES: CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23

InChI Key: InChIKey=RBFMXSCFUBMKHQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50010448   

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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50010448 (2,2'-Diimino-5,5'-diisopropyl-7,7'-dimethyl-2H,2'H...) Show SMILES CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)| Show InChI InChI=1S/C30H28N2O6/c1-9(2)15-13-7-11(5)17(27-19(13)21(29(31)37-27)25(35)23(15)33)18-12(6)8-14-16(10(3)4)24(34)26(36)22-20(14)28(18)38-30(22)32/h7-10,31-36H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-CRO Curated by ChEMBL					Assay Description Competitive inhibition of human LDH5 in presence of NADH				J Med Chem 59: 487-96 (2016) BindingDB Entry DOI: 10.7270/Q2B27X41
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50010448 (2,2'-Diimino-5,5'-diisopropyl-7,7'-dimethyl-2H,2'H...) Show SMILES CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)| Show InChI InChI=1S/C30H28N2O6/c1-9(2)15-13-7-11(5)17(27-19(13)21(29(31)37-27)25(35)23(15)33)18-12(6)8-14-16(10(3)4)24(34)26(36)22-20(14)28(18)38-30(22)32/h7-10,31-36H,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against Aldose reductase from human placenta				J Med Chem 34: 3301-5 (1991) BindingDB Entry DOI: 10.7270/Q2VM4B7C
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50010448 (2,2'-Diimino-5,5'-diisopropyl-7,7'-dimethyl-2H,2'H...) Show SMILES CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)| Show InChI InChI=1S/C30H28N2O6/c1-9(2)15-13-7-11(5)17(27-19(13)21(29(31)37-27)25(35)23(15)33)18-12(6)8-14-16(10(3)4)24(34)26(36)22-20(14)28(18)38-30(22)32/h7-10,31-36H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-CRO Curated by ChEMBL					Assay Description Competitive inhibition of human LDH1 in presence of NADH				J Med Chem 59: 487-96 (2016) BindingDB Entry DOI: 10.7270/Q2B27X41
					More data for this Ligand-Target Pair