BDBM50453098 CHEMBL2310853

SMILES: [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(=O)OCC)cc1)C(=O)OC)N2C

InChI Key: InChIKey=YIKMNZPABUNBSL-YKNYVSNTSA-N

Data: 2 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 2 hits for monomerid = 50453098   

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 (Rattus norvegicus (rat))	BDBM50453098 (CHEMBL2310853) Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(=O)OCC)cc1)C(=O)OC)N2C |r,TLB:25:24:3.2:7.6.5,8:6:3.2:24,THB:20:5:3.2:24| Show InChI InChI=1S/C19H26N2O4/c1-4-25-19(23)20-13-7-5-12(6-8-13)15-11-14-9-10-16(21(14)2)17(15)18(22)24-3/h5-8,14-17H,4,9-11H2,1-3H3,(H,20,23)/t14-,15-,16?,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat				J Med Chem 37: 2865-73 (1994) BindingDB Entry DOI: 10.7270/Q21C1XH0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50453098 (CHEMBL2310853) Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(=O)OCC)cc1)C(=O)OC)N2C |r,TLB:25:24:3.2:7.6.5,8:6:3.2:24,THB:20:5:3.2:24| Show InChI InChI=1S/C19H26N2O4/c1-4-25-19(23)20-13-7-5-12(6-8-13)15-11-14-9-10-16(21(14)2)17(15)18(22)24-3/h5-8,14-17H,4,9-11H2,1-3H3,(H,20,23)/t14-,15-,16?,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.				J Med Chem 34: 2719-25 (1991) BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
					More data for this Ligand-Target Pair