BDBM50173995 CHEMBL3809491

SMILES: CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C

InChI Key: InChIKey=LLGIDGFELHHCJD-GJZUVCINSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50173995   

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))	BDBM50173995 (CHEMBL3809491) Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r| Show InChI InChI=1S/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50173995 (CHEMBL3809491) Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r| Show InChI InChI=1S/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50173995 (CHEMBL3809491) Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r| Show InChI InChI=1S/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50173995 (CHEMBL3809491) Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r| Show InChI InChI=1S/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/m1/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	490	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair