BDBM50407356 CHEMBL54265

SMILES: CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1

InChI Key: InChIKey=GKKAQRFMUGUZQS-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50407356   

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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Q-ICS 205-930 binding to rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor (Sus scrofa)	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in pig cortex				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]mesulergine from 5-hydroxytryptamine 2C receptor in pig cortex				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor (Sus scrofa)	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 1A receptor from pig cortex membrane using [3H]8-OH-DPAT-HT as radioligand.				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand.				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand.				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]DOB from 5-hydroxytryptamine 2A receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair