BDBM50130754 CHEMBL3634397

SMILES: [H][C@]12CCC[C@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=PAVYSOUZQLFNIW-ZJOUEHCJSA-N

Data: 3 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 3 hits for monomerid = 50130754   

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))	BDBM50130754 (CHEMBL3634397) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50130754 (CHEMBL3634397) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50130754 (CHEMBL3634397) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair