BDBM50027009 CHEMBL2112835

SMILES: [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C

InChI Key: InChIKey=PNXXIGIOPISMQB-ZCNNSNEGSA-N

Data: 3 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 3 hits for monomerid = 50027009   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027009 (CHEMBL2112835) Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C |TLB:4:3:23.17:11.16,12:11:23.17:8.2.3,THB:24:23:11.16:8.2.3,19:17:11.16:8.2.3,7:8:23.17:11.16| Show InChI InChI=1S/C20H23NO/c1-21-18(11-6-12-22)20-15-8-3-2-7-14(15)13-19(21)16-9-4-5-10-17(16)20/h2-5,7-10,18-20,22H,6,11-13H2,1H3/t18-,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50027009 (CHEMBL2112835) Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C |TLB:4:3:23.17:11.16,12:11:23.17:8.2.3,THB:24:23:11.16:8.2.3,19:17:11.16:8.2.3,7:8:23.17:11.16| Show InChI InChI=1S/C20H23NO/c1-21-18(11-6-12-22)20-15-8-3-2-7-14(15)13-19(21)16-9-4-5-10-17(16)20/h2-5,7-10,18-20,22H,6,11-13H2,1H3/t18-,19+,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50027009 (CHEMBL2112835) Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(c3ccccc13)[C@]([H])(CCCO)N2C |TLB:4:3:23.17:11.16,12:11:23.17:8.2.3,THB:24:23:11.16:8.2.3,19:17:11.16:8.2.3,7:8:23.17:11.16| Show InChI InChI=1S/C20H23NO/c1-21-18(11-6-12-22)20-15-8-3-2-7-14(15)13-19(21)16-9-4-5-10-17(16)20/h2-5,7-10,18-20,22H,6,11-13H2,1H3/t18-,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair