BDBM36187 1-methylhexylamine::Tuaminoheptane

SMILES: CCCCCC(C)[NH3+]

InChI Key: InChIKey=VSRBKQFNFZQRBM-UHFFFAOYSA-O

Data: 2 KI  1 IC50  2 ITC

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 3 hits for monomerid = 36187   

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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM36187 (1-methylhexylamine | Tuaminoheptane) Show SMILES CCCCCC(C)[NH3+] Show InChI InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM36187 (1-methylhexylamine | Tuaminoheptane) Show SMILES CCCCCC(C)[NH3+] Show InChI InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM36187 (1-methylhexylamine | Tuaminoheptane) Show SMILES CCCCCC(C)[NH3+] Show InChI InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Antagonistic activity towards Opioid receptor mu 1				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 36187

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM11	BDBM36187	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-2.56	-3.03	0.468	1.88	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36187	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-3.60	0.677	-4.28	2.64	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)