BDBM50531605 CHEMBL4552298

SMILES: CN1CCC2(CC1)N[C@@H](CO)C(=O)N(C2=O)c1c(C)cccc1C

InChI Key: InChIKey=GEALIVCGHVSQSW-AWEZNQCLSA-N

Data: 3 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 3 hits for monomerid = 50531605   

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
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50531605 (CHEMBL4552298) Show SMILES CN1CCC2(CC1)N[C@@H](CO)C(=O)N(C2=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C18H25N3O3/c1-12-5-4-6-13(2)15(12)21-16(23)14(11-22)19-18(17(21)24)7-9-20(3)10-8-18/h4-6,14,19,22H,7-11H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]Pentazocine from guinea pig sigma-1 receptor by radioligand binding assay				Eur J Med Chem 164: 241-251 (2019) Article DOI: 10.1016/j.ejmech.2018.12.048
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50531605 (CHEMBL4552298) Show SMILES CN1CCC2(CC1)N[C@@H](CO)C(=O)N(C2=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C18H25N3O3/c1-12-5-4-6-13(2)15(12)21-16(23)14(11-22)19-18(17(21)24)7-9-20(3)10-8-18/h4-6,14,19,22H,7-11H2,1-3H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK cells by radioligand binding assay				Eur J Med Chem 164: 241-251 (2019) Article DOI: 10.1016/j.ejmech.2018.12.048
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50531605 (CHEMBL4552298) Show SMILES CN1CCC2(CC1)N[C@@H](CO)C(=O)N(C2=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C18H25N3O3/c1-12-5-4-6-13(2)15(12)21-16(23)14(11-22)19-18(17(21)24)7-9-20(3)10-8-18/h4-6,14,19,22H,7-11H2,1-3H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay				Eur J Med Chem 164: 241-251 (2019) Article DOI: 10.1016/j.ejmech.2018.12.048
					More data for this Ligand-Target Pair