BDBM81768 BENZYLIC ACID::CAS_6581-06-2::NSC_5311391::Quinuclidinyl benzilate

SMILES: OC(=O)C(O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=UKXSKSHDVLQNKG-UHFFFAOYSA-N

Data: 20 KI

PDB links: 1 PDB ID matches this monomer.

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 20 hits for monomerid = 81768   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic and Foundation Curated by PDSP Ki Database									Eur J Pharmacol 103: 197-204 (1984) Article DOI: 10.1016/0014-2999(84)90478-3 BindingDB Entry DOI: 10.7270/Q2WW7G5B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research and Mayo Clinic Curated by PDSP Ki Database									Life Sci 68: 29-39 (2000) Article DOI: 10.1016/s0024-3205(00)00911-5 BindingDB Entry DOI: 10.7270/Q2057DHP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 71: 1725-9 (1974) Article DOI: 10.1073/pnas.71.5.1725 BindingDB Entry DOI: 10.7270/Q2PC30WD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Italia Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995) Article DOI: 10.1007/bf00168557 BindingDB Entry DOI: 10.7270/Q2Q52N48
					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 253: 461-5 (1990) BindingDB Entry DOI: 10.7270/Q2SF2TPW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by PDSP Ki Database									Synapse 15: 169-76 (1993) Article DOI: 10.1002/syn.890150302 BindingDB Entry DOI: 10.7270/Q2MS3R8Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by PDSP Ki Database									Synapse 15: 169-76 (1993) Article DOI: 10.1002/syn.890150302 BindingDB Entry DOI: 10.7270/Q2MS3R8Z
					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 253: 461-5 (1990) BindingDB Entry DOI: 10.7270/Q2SF2TPW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by PDSP Ki Database									Synapse 15: 169-76 (1993) Article DOI: 10.1002/syn.890150302 BindingDB Entry DOI: 10.7270/Q2MS3R8Z
					More data for this Ligand-Target Pair
Mandelate racemase (MR) (Pseudomonas putida (g-Proteobacteria))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas putida mandelate racemase				Bioorg Med Chem Lett 24: 390-3 (2013) Article DOI: 10.1016/j.bmcl.2013.10.061 BindingDB Entry DOI: 10.7270/Q2PV6MVC
					More data for this Ligand-Target Pair				3D Structure (crystal)