BDBM160912 US10093655, Example 2::US9107923, 1::US9107923, 2

SMILES: Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C

InChI Key: InChIKey=HKUMDHHNJIWXOV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 160912   

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))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.11	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))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.11	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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.11	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))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.3	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))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.3	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))	BDBM160912 (US10093655, Example 2 | US11014909, Example 2 | US...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(5.9,5.18,;4.56,5.95,;3.23,5.18,;1.9,5.95,;.56,5.18,;-.77,5.95,;-.77,7.49,;-2.1,8.26,;-3.44,7.49,;-3.44,5.95,;-2.1,5.18,;-2.1,3.64,;-1.33,2.31,;-2.87,2.31,;1.9,7.49,;3.23,8.26,;4.56,7.49,;5.9,8.26,;5.9,9.8,;4.56,10.57,;7.23,10.57,;7.23,12.11,;8.57,9.8,;8.57,8.26,;9.9,7.49,;7.23,7.49,;7.23,5.95,)| Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.3	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