BDBM50148869 CHEMBL3770643

SMILES: N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12

InChI Key: InChIKey=WNLHEKJUSTXAKY-LADGPHEKSA-N

Data: 3 KI  2 EC50

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 = 50148869   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50148869 (CHEMBL3770643) Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50148869 (CHEMBL3770643) Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50148869 (CHEMBL3770643) Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50148869 (CHEMBL3770643) Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50148869 (CHEMBL3770643) Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair