BDBM50503055 CHEMBL4530979

SMILES: CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1

InChI Key: InChIKey=KZKJHSIIZCQGEQ-FUHWJXTLSA-N

Data: 5 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 5 hits for monomerid = 50503055   

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 non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50503055 (CHEMBL4530979) Show SMILES CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-3-16-15-11-14(13-7-5-4-6-8-13)9-10-17(15)20-12-18(16,2)19/h4-11,16H,3,12,19H2,1-2H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from human recombinant sigma1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50503055 (CHEMBL4530979) Show SMILES CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-3-16-15-11-14(13-7-5-4-6-8-13)9-10-17(15)20-12-18(16,2)19/h4-11,16H,3,12,19H2,1-2H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from human recombinant sigma1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50503055 (CHEMBL4530979) Show SMILES CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-3-16-15-11-14(13-7-5-4-6-8-13)9-10-17(15)20-12-18(16,2)19/h4-11,16H,3,12,19H2,1-2H3/t16-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human recombinant 5-HT2B receptor stably expressed in HEK cells after 90 mins by microbeta scintillation counting metho...				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50503055 (CHEMBL4530979) Show SMILES CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-3-16-15-11-14(13-7-5-4-6-8-13)9-10-17(15)20-12-18(16,2)19/h4-11,16H,3,12,19H2,1-2H3/t16-,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from human recombinant sigma2 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting met...				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503055 (CHEMBL4530979) Show SMILES CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-3-16-15-11-14(13-7-5-4-6-8-13)9-10-17(15)20-12-18(16,2)19/h4-11,16H,3,12,19H2,1-2H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225
					More data for this Ligand-Target Pair