BDBM91627 12t::alpha7 agonists 12t

SMILES: CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1

InChI Key: InChIKey=MKJMQJPHIUSFQY-BTTYYORXSA-N

Data: 6 KI  1 EC50

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 7 hits for monomerid = 91627   

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
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	210	-8.95	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Aplysia Californica)	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	-7.85	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Aplysia Californica)	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	>-7.11	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Aplysia Californica)	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	>-7.11	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-6.66	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
5-HT3A Serotonin Receptor (Mus musculus (house mouse))	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	>-6.41	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1| Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group (2014) Article DOI: 10.1124/mol.112.080291 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair