BDBM50459917 CHEMBL4228747

SMILES: [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2

InChI Key: InChIKey=CQJYLBTXDZXLEK-NNQSOWQGSA-N

Data: 3 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 3 hits for monomerid = 50459917   

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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50459917 (CHEMBL4228747) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2| Show InChI InChI=1S/C17H19NO3/c1-10-6-11-7-14(4-5-16(11)21-17(10)19)20-15-8-12-2-3-13(9-15)18-12/h4-7,12-13,15,18H,2-3,8-9H2,1H3/t12-,13+,15?	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to DAT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50459917 (CHEMBL4228747) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2| Show InChI InChI=1S/C17H19NO3/c1-10-6-11-7-14(4-5-16(11)21-17(10)19)20-15-8-12-2-3-13(9-15)18-12/h4-7,12-13,15,18H,2-3,8-9H2,1H3/t12-,13+,15?	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to NET (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50459917 (CHEMBL4228747) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2| Show InChI InChI=1S/C17H19NO3/c1-10-6-11-7-14(4-5-16(11)21-17(10)19)20-15-8-12-2-3-13(9-15)18-12/h4-7,12-13,15,18H,2-3,8-9H2,1H3/t12-,13+,15?	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to SERT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair