BDBM250218 US10501411, Example 128::US9452980, 128

SMILES: Clc1ccc(CCCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1

InChI Key: InChIKey=FFRNSILDSRHZLI-UHFFFAOYSA-N

Data: 4 KI

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 = 250218   

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
Trace amine-associated receptor 1 (TAAR1) (Mus musculus (Mouse))	BDBM250218 (US10501411, Example 128 | US9452980, 128) Show SMILES Clc1ccc(CCCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1 Show InChI InChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	-13.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc. US Patent					Assay Description HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, h...				US Patent US9452980 (2016) BindingDB Entry DOI: 10.7270/Q2X63KVF
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM250218 (US10501411, Example 128 | US9452980, 128) Show SMILES Clc1ccc(CCCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1 Show InChI InChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Rat: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentr...				US Patent US10501411 (2019) BindingDB Entry DOI: 10.7270/Q27S7R5Q
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Mus musculus (Mouse))	BDBM250218 (US10501411, Example 128 | US9452980, 128) Show SMILES Clc1ccc(CCCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1 Show InChI InChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Mouse: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concen...				US Patent US10501411 (2019) BindingDB Entry DOI: 10.7270/Q27S7R5Q
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM250218 (US10501411, Example 128 | US9452980, 128) Show SMILES Clc1ccc(CCCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1 Show InChI InChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	-13.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc. US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, hea...				US Patent US9452980 (2016) BindingDB Entry DOI: 10.7270/Q2X63KVF
					More data for this Ligand-Target Pair