BDBM50057778 CHEMBL3323009::US9598387, Compound 122::US9969743, 122

SMILES: CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1

InChI Key: InChIKey=BSVRQWRWWJQETN-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 = 50057778   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50057778 (CHEMBL3323009 | US9598387, Compound 122 | US996974...) Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	18.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute US Patent					Assay Description The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...				US Patent US9598387 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057778 (CHEMBL3323009 | US9598387, Compound 122 | US996974...) Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	18.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...				J Med Chem 52: 1935-42 (2009) BindingDB Entry DOI: 10.7270/Q2HD7Z0N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057778 (CHEMBL3323009 | US9598387, Compound 122 | US996974...) Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50057778 (CHEMBL3323009 | US9598387, Compound 122 | US996974...) Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	361	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...				J Med Chem 52: 1935-42 (2009) BindingDB Entry DOI: 10.7270/Q2HD7Z0N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50057778 (CHEMBL3323009 | US9598387, Compound 122 | US996974...) Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	361	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute US Patent					Assay Description The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...				US Patent US9598387 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50057778 (CHEMBL3323009 | US9598387, Compound 122 | US996974...) Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	361	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair