BDBM178059 (3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl 4-nitrobenzoate (23)

SMILES: COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1

InChI Key: InChIKey=GUCZKXIIQXHHKJ-UHFFFAOYSA-N

Data: 2 KI  2 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 2 hits for monomerid = 178059   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178059 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H31NO8/c1-34-24-14-10-19(16-26(24)36-3)22-6-5-7-23(22)28(20-11-15-25(35-2)27(17-20)37-4)38-29(31)18-8-12-21(13-9-18)30(32)33/h8-17,22-23,28H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	588	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178059 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H31NO8/c1-34-24-14-10-19(16-26(24)36-3)22-6-5-7-23(22)28(20-11-15-25(35-2)27(17-20)37-4)38-29(31)18-8-12-21(13-9-18)30(32)33/h8-17,22-23,28H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	616	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair