BDBM50015007 CHEMBL3262088

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O

InChI Key: InChIKey=GGVDQPNQFCSAQQ-DKMGXXMGSA-N

Data: 4 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 7 hits for monomerid = 50015007   

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))	BDBM50015007 (CHEMBL3262088) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50015007 (CHEMBL3262088) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50015007 (CHEMBL3262088) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50015007 (CHEMBL3262088) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting a...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50015007 (CHEMBL3262088) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50015007 (CHEMBL3262088) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plate l...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50015007 (CHEMBL3262088) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	183	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair