BDBM50453909 CHEMBL3084880

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C

InChI Key: InChIKey=AFWLTZMAQCSANY-APKKXVTOSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50453909   

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 M1 (RAT)	BDBM50453909 (CHEMBL3084880) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t18-,19+,21+,22?	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.				J Med Chem 38: 3933-40 (1995) BindingDB Entry DOI: 10.7270/Q20V8DF2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50453909 (CHEMBL3084880) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t18-,19+,21+,22?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement.				J Med Chem 38: 3933-40 (1995) BindingDB Entry DOI: 10.7270/Q20V8DF2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50453909 (CHEMBL3084880) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t18-,19+,21+,22?	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.				J Med Chem 38: 3933-40 (1995) BindingDB Entry DOI: 10.7270/Q20V8DF2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50453909 (CHEMBL3084880) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t18-,19+,21+,22?	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand				J Med Chem 43: 4151-9 (2000) Article DOI: 10.1021/jm990472s BindingDB Entry DOI: 10.7270/Q2PK0JWZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50453909 (CHEMBL3084880) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2| Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t18-,19+,21+,22?	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in rat caudate putamen.				J Med Chem 38: 3933-40 (1995) BindingDB Entry DOI: 10.7270/Q20V8DF2
					More data for this Ligand-Target Pair