null

SMILES: COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1

InChI Key: InChIKey=SWKBPFACSXLZFM-LJQANCHMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50099011   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099011 (1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...) Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1 Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50099011 (1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...) Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1 Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Percent inhibition of the compound towards dopamine D4 receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50099011 (1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...) Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1 Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	489	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Percent inhibition of the compound towards dopamine D3 receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099011 (1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...) Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1 Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Percent inhibition of the compound towards dopamine D2 receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair