BDBM82491 TMQ, 3'-Nitro

SMILES: COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O

InChI Key: InChIKey=UPDSTUZHGKMJEP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 82491   

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
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM82491 (TMQ, 3'-Nitro) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O Show InChI InChI=1S/C18H20N2O6/c1-25-17-7-10(6-14(20(23)24)18(17)26-2)5-13-12-9-16(22)15(21)8-11(12)3-4-19-13/h6-9,13,19,21-22H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM82491 (TMQ, 3'-Nitro) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O Show InChI InChI=1S/C18H20N2O6/c1-25-17-7-10(6-14(20(23)24)18(17)26-2)5-13-12-9-16(22)15(21)8-11(12)3-4-19-13/h6-9,13,19,21-22H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	11.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM82491 (TMQ, 3'-Nitro) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O Show InChI InChI=1S/C18H20N2O6/c1-25-17-7-10(6-14(20(23)24)18(17)26-2)5-13-12-9-16(22)15(21)8-11(12)3-4-19-13/h6-9,13,19,21-22H,3-5H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM82491 (TMQ, 3'-Nitro) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O Show InChI InChI=1S/C18H20N2O6/c1-25-17-7-10(6-14(20(23)24)18(17)26-2)5-13-12-9-16(22)15(21)8-11(12)3-4-19-13/h6-9,13,19,21-22H,3-5H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM82491 (TMQ, 3'-Nitro) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O Show InChI InChI=1S/C18H20N2O6/c1-25-17-7-10(6-14(20(23)24)18(17)26-2)5-13-12-9-16(22)15(21)8-11(12)3-4-19-13/h6-9,13,19,21-22H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	46.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair