BDBM50027008 CHEMBL2112842

SMILES: [H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21

InChI Key: InChIKey=DFHJAXSWKTWVHE-HKBOAZHASA-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 = 50027008   

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))	BDBM50027008 (CHEMBL2112842) Show SMILES [H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:15:16:6.1:19.24,THB:12:11:6.1:19.24,7:6:19.24:16.10.11,20:19:6.1:16.10.11,2:1:19.24:16.10.11| Show InChI InChI=1S/C21H25N/c1-14(2)12-20-21-16-9-5-4-8-15(16)13-19(22(20)3)17-10-6-7-11-18(17)21/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/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	2.97E+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 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))	BDBM50027008 (CHEMBL2112842) Show SMILES [H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:15:16:6.1:19.24,THB:12:11:6.1:19.24,7:6:19.24:16.10.11,20:19:6.1:16.10.11,2:1:19.24:16.10.11| Show InChI InChI=1S/C21H25N/c1-14(2)12-20-21-16-9-5-4-8-15(16)13-19(22(20)3)17-10-6-7-11-18(17)21/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/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	1.01E+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))	BDBM50027008 (CHEMBL2112842) Show SMILES [H][C@@]1(CC(C)C)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:15:16:6.1:19.24,THB:12:11:6.1:19.24,7:6:19.24:16.10.11,20:19:6.1:16.10.11,2:1:19.24:16.10.11| Show InChI InChI=1S/C21H25N/c1-14(2)12-20-21-16-9-5-4-8-15(16)13-19(22(20)3)17-10-6-7-11-18(17)21/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/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	>8.70E+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 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