BDBM50021986 CHEMBL3298904

SMILES: [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1

InChI Key: InChIKey=FTILCKRWMSJYSB-ZWEKWIFMSA-N

Data: 1 KI  2 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 = 50021986   

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 (Cavia porcellus (domestic guinea pig))	BDBM50021986 (CHEMBL3298904) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O/c31-26(20-22-10-3-1-4-11-22)30-19-18-29(21-23-12-5-2-6-13-23)25-15-9-14-24(27(25)30)28-16-7-8-17-28/h1-6,10-13,24-25,27H,7-9,14-21H2/t24-,25+,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50021986 (CHEMBL3298904) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O/c31-26(20-22-10-3-1-4-11-22)30-19-18-29(21-23-12-5-2-6-13-23)25-15-9-14-24(27(25)30)28-16-7-8-17-28/h1-6,10-13,24-25,27H,7-9,14-21H2/t24-,25+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021986 (CHEMBL3298904) Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O/c31-26(20-22-10-3-1-4-11-22)30-19-18-29(21-23-12-5-2-6-13-23)25-15-9-14-24(27(25)30)28-16-7-8-17-28/h1-6,10-13,24-25,27H,7-9,14-21H2/t24-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair