BDBM50353902 CHEMBL1829959

SMILES: COc1cccc2[nH]cc(-c3ccnc(N)n3)c12

InChI Key: InChIKey=LMBAMOXWCSVRLU-UHFFFAOYSA-N

Data: 7 KI  2 IC50

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 9 hits for monomerid = 50353902   

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 2B (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT2B receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT5A receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5-HT7 receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]5-carboximidotryptamine from 5-HT1D receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]SCH233930 from dopamine D5 receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5-HT2C receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50353902 (CHEMBL1829959) Show SMILES COc1cccc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI InChI=1S/C13H12N4O/c1-18-11-4-2-3-10-12(11)8(7-16-10)9-5-6-15-13(14)17-9/h2-7,16H,1H3,(H2,14,15,17)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic acetylcholine M5 receptor after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 5756-62 (2011) Article DOI: 10.1016/j.bmc.2011.08.033 BindingDB Entry DOI: 10.7270/Q25X29BF
					More data for this Ligand-Target Pair