BDBM85933 TMP

SMILES: COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1

InChI Key: InChIKey=DUGOZIWVEXMGBE-QWHCGFSZSA-N

Data: 2 KI  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 5 hits for monomerid = 85933   

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))	BDBM85933 (TMP | US11001595, Compound TMP) Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r| Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercer University Curated by PDSP Ki Database									J Pharmacol Exp Ther 301: 527-35 (2002) Article DOI: 10.1124/jpet.301.2.527 BindingDB Entry DOI: 10.7270/Q2C53JFB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM85933 (TMP | US11001595, Compound TMP) Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r| Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercer University Curated by PDSP Ki Database									J Pharmacol Exp Ther 301: 527-35 (2002) Article DOI: 10.1124/jpet.301.2.527 BindingDB Entry DOI: 10.7270/Q2C53JFB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human pneumocystis pneumonia agent)	BDBM85933 (TMP | US11001595, Compound TMP) Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r| Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM85933 (TMP | US11001595, Compound TMP) Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r| Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM85933 (TMP | US11001595, Compound TMP) Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r| Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine receptor in rat striatal membranes				Bioorg Med Chem Lett 14: 1799-802 (2004) Article DOI: 10.1016/j.bmcl.2003.12.097 BindingDB Entry DOI: 10.7270/Q2T43SJ8
					More data for this Ligand-Target Pair