BDBM250323 US10501411, Example 233::US9452980, 233

SMILES: O=C(Nc1ccc(cc1)C1CNCCO1)c1csc(n1)-c1ccccc1

InChI Key: InChIKey=FMARCCRRUGZDDU-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 = 250323   

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))	BDBM250323 (US10501411, Example 233 | US9452980, 233) Show SMILES O=C(Nc1ccc(cc1)C1CNCCO1)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C20H19N3O2S/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18/h1-9,13,18,21H,10-12H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	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) (Mus musculus (Mouse))	BDBM250323 (US10501411, Example 233 | US9452980, 233) Show SMILES O=C(Nc1ccc(cc1)C1CNCCO1)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C20H19N3O2S/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18/h1-9,13,18,21H,10-12H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	-12.9	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))	BDBM250323 (US10501411, Example 233 | US9452980, 233) Show SMILES O=C(Nc1ccc(cc1)C1CNCCO1)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C20H19N3O2S/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18/h1-9,13,18,21H,10-12H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	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) (Rattus norvegicus (Rat))	BDBM250323 (US10501411, Example 233 | US9452980, 233) Show SMILES O=C(Nc1ccc(cc1)C1CNCCO1)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C20H19N3O2S/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18/h1-9,13,18,21H,10-12H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	-12.6	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