BDBM50026890 CHEMBL2113670

SMILES: [H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O

InChI Key: InChIKey=YLGFGFSODXCCQV-LJAXJJGUSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50026890   

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))	BDBM50026890 (CHEMBL2113670) Show SMILES [H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:10,TLB:18:19:9:24.26.27,1:6:28.15:11.10,25:24:19.20.21:9,THB:8:9:19.20.21:24.26.27,10:9:19.20.21:24.26.27| Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16+,18-,21+,22-,23?,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50026890 (CHEMBL2113670) Show SMILES [H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:10,TLB:18:19:9:24.26.27,1:6:28.15:11.10,25:24:19.20.21:9,THB:8:9:19.20.21:24.26.27,10:9:19.20.21:24.26.27| Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16+,18-,21+,22-,23?,24-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50026890 (CHEMBL2113670) Show SMILES [H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:10,TLB:18:19:9:24.26.27,1:6:28.15:11.10,25:24:19.20.21:9,THB:8:9:19.20.21:24.26.27,10:9:19.20.21:24.26.27| Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16+,18-,21+,22-,23?,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes using [3H]Cl-DPDPE				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50026890 (CHEMBL2113670) Show SMILES [H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:10,TLB:18:19:9:24.26.27,1:6:28.15:11.10,25:24:19.20.21:9,THB:8:9:19.20.21:24.26.27,10:9:19.20.21:24.26.27| Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16+,18-,21+,22-,23?,24-/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	0.610	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor kappa 1 (U-69,593) transfected onto CHO cells				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50026890 (CHEMBL2113670) Show SMILES [H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:10,TLB:18:19:9:24.26.27,1:6:28.15:11.10,25:24:19.20.21:9,THB:8:9:19.20.21:24.26.27,10:9:19.20.21:24.26.27| Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16+,18-,21+,22-,23?,24-/m1/s1	PDB NCI pathway 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	4.90	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor mu 1 (DAMGO) transfected onto CHO cells				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50026890 (CHEMBL2113670) Show SMILES [H][C@](C)(OCC)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:10,TLB:18:19:9:24.26.27,1:6:28.15:11.10,25:24:19.20.21:9,THB:8:9:19.20.21:24.26.27,10:9:19.20.21:24.26.27| Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16+,18-,21+,22-,23?,24-/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	24	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description EC50 for binding of [35S]- GTPdeltaS in cloned human oOpioid receptor delta 1 (Cl-DPDPE) transfected onto CHO cells				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair