BDBM50454824 CHEMBL3084909

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C

InChI Key: InChIKey=REWRBJXOTYIRQA-PMOLBWCYSA-N

Data: 3 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 4 hits for monomerid = 50454824   

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)	BDBM50454824 (CHEMBL3084909) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3| Show InChI InChI=1S/C21H23F2NO/c1-24-18-8-9-19(24)13-20(12-18)25-21(14-4-2-6-16(22)10-14)15-5-3-7-17(23)11-15/h2-7,10-11,18-21H,8-9,12-13H2,1H3/t18-,19+,20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	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 Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.				J Med Chem 40: 851-7 (1997) Article DOI: 10.1021/jm950782k BindingDB Entry DOI: 10.7270/Q21R6R54
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50454824 (CHEMBL3084909) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3| Show InChI InChI=1S/C21H23F2NO/c1-24-18-8-9-19(24)13-20(12-18)25-21(14-4-2-6-16(22)10-14)15-5-3-7-17(23)11-15/h2-7,10-11,18-21H,8-9,12-13H2,1H3/t18-,19+,20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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 Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen				J Med Chem 40: 851-7 (1997) Article DOI: 10.1021/jm950782k BindingDB Entry DOI: 10.7270/Q21R6R54
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50454824 (CHEMBL3084909) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3| Show InChI InChI=1S/C21H23F2NO/c1-24-18-8-9-19(24)13-20(12-18)25-21(14-4-2-6-16(22)10-14)15-5-3-7-17(23)11-15/h2-7,10-11,18-21H,8-9,12-13H2,1H3/t18-,19+,20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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))	BDBM50454824 (CHEMBL3084909) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3| Show InChI InChI=1S/C21H23F2NO/c1-24-18-8-9-19(24)13-20(12-18)25-21(14-4-2-6-16(22)10-14)15-5-3-7-17(23)11-15/h2-7,10-11,18-21H,8-9,12-13H2,1H3/t18-,19+,20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description [3H]-Dopamine uptake inhibition in rat caudate putamen				J Med Chem 40: 851-7 (1997) Article DOI: 10.1021/jm950782k BindingDB Entry DOI: 10.7270/Q21R6R54
					More data for this Ligand-Target Pair