BDBM160867 US10093655, Example 37::US9107923, 37

SMILES: CC(=C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C

InChI Key: InChIKey=JVMQSSLFWZAMND-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 160867   

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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160867 (US10093655, Example 37 | US11014909, Example 37 | ...) Show SMILES CC(=C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(-6.67,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;2.67,3.47,;1.33,4.23,;4,4.23,;4,5.78,;5.33,3.47,;5.33,1.93,;6.67,1.15,;4,1.15,;4,-.38,)| Show InChI InChI=1S/C21H21N3O3/c1-12(2)16-7-6-10-22-20(16)27-15-8-9-17(13(3)11-15)18-14(4)19(25)23-21(26)24(18)5/h6-11H,1H2,2-5H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...				US Patent US9107923 (2015) BindingDB Entry DOI: 10.7270/Q2C24V5T
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160867 (US10093655, Example 37 | US11014909, Example 37 | ...) Show SMILES CC(=C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(-6.67,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;2.67,3.47,;1.33,4.23,;4,4.23,;4,5.78,;5.33,3.47,;5.33,1.93,;6.67,1.15,;4,1.15,;4,-.38,)| Show InChI InChI=1S/C21H21N3O3/c1-12(2)16-7-6-10-22-20(16)27-15-8-9-17(13(3)11-15)18-14(4)19(25)23-21(26)24(18)5/h6-11H,1H2,2-5H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US11014909 (2021)
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160867 (US10093655, Example 37 | US11014909, Example 37 | ...) Show SMILES CC(=C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C |(-6.67,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;-1.33,1.15,;2.67,1.93,;2.67,3.47,;1.33,4.23,;4,4.23,;4,5.78,;5.33,3.47,;5.33,1.93,;6.67,1.15,;4,1.15,;4,-.38,)| Show InChI InChI=1S/C21H21N3O3/c1-12(2)16-7-6-10-22-20(16)27-15-8-9-17(13(3)11-15)18-14(4)19(25)23-21(26)24(18)5/h6-11H,1H2,2-5H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair