BDBM50148868 CHEMBL3770024

SMILES: Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12

InChI Key: InChIKey=WIMIKYREURPSOR-AZGAKELHSA-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 = 50148868   

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))	BDBM50148868 (CHEMBL3770024) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	18	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))	BDBM50148868 (CHEMBL3770024) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	130	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))	BDBM50148868 (CHEMBL3770024) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	660	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))	BDBM50148868 (CHEMBL3770024) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	4.80E+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))	BDBM50148868 (CHEMBL3770024) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	280	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