BDBM50503061 CHEMBL4464697

SMILES: [H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21

InChI Key: InChIKey=GKALLXNUCAXRAR-JOYOIKCWSA-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 = 50503061   

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))	BDBM50503061 (CHEMBL4464697) Show SMILES [H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r| Show InChI InChI=1S/C12H14BrNO/c1-12-7-15-11-8(3-2-4-10(11)13)9(12)5-6-14-12/h2-4,9,14H,5-7H2,1H3/t9-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50503061 (CHEMBL4464697) Show SMILES [H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r| Show InChI InChI=1S/C12H14BrNO/c1-12-7-15-11-8(3-2-4-10(11)13)9(12)5-6-14-12/h2-4,9,14H,5-7H2,1H3/t9-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	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-HT7 receptor expressed in stable HEK 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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50503061 (CHEMBL4464697) Show SMILES [H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r| Show InChI InChI=1S/C12H14BrNO/c1-12-7-15-11-8(3-2-4-10(11)13)9(12)5-6-14-12/h2-4,9,14H,5-7H2,1H3/t9-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	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 intracellular receptor 2 (Homo sapiens (Human))	BDBM50503061 (CHEMBL4464697) Show SMILES [H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r| Show InChI InChI=1S/C12H14BrNO/c1-12-7-15-11-8(3-2-4-10(11)13)9(12)5-6-14-12/h2-4,9,14H,5-7H2,1H3/t9-,12+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	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))	BDBM50503061 (CHEMBL4464697) Show SMILES [H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r| Show InChI InChI=1S/C12H14BrNO/c1-12-7-15-11-8(3-2-4-10(11)13)9(12)5-6-14-12/h2-4,9,14H,5-7H2,1H3/t9-,12+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+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