BDBM50287045 CHEMBL14680::N-CBM-TAMO

SMILES: Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CCC1)CC[C@@]235)ccc4O

InChI Key: InChIKey=KDZXAOMQHWOCNV-NIRISHMOSA-N

Data: 3 IC50

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 3 hits for monomerid = 50287045   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50287045 (CHEMBL14680 | N-CBM-TAMO) Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CCC1)CC[C@@]235)ccc4O Show InChI InChI=1S/C46H54N4O8S2/c51-29-9-7-27-19-33-45(13-11-31(53)41-43(45,37(27)39(29)57-41)15-17-49(33)21-25-3-1-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-32(54)42-44(46)16-18-50(22-26-5-2-6-26)34(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,33-34,41-42,51-52H,1-6,11-24H2,(H,47,55)(H,48,56)/t33-,34-,41+,42+,43+,44+,45-,46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for binding activity against Opioid receptor delta 1 in bovine striatal membranes using 0.2 nM [3H]-p-CI-DPDPE as the radioligand...				Bioorg Med Chem Lett 6: 1139-1144 (1996) Article DOI: 10.1016/0960-894X(96)00186-2 BindingDB Entry DOI: 10.7270/Q2BP02R9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50287045 (CHEMBL14680 | N-CBM-TAMO) Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CCC1)CC[C@@]235)ccc4O Show InChI InChI=1S/C46H54N4O8S2/c51-29-9-7-27-19-33-45(13-11-31(53)41-43(45,37(27)39(29)57-41)15-17-49(33)21-25-3-1-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-32(54)42-44(46)16-18-50(22-26-5-2-6-26)34(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,33-34,41-42,51-52H,1-6,11-24H2,(H,47,55)(H,48,56)/t33-,34-,41+,42+,43+,44+,45-,46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for binding activity against Opioid receptor kappa 1 in bovine striatal membranes using 1 nM [3H]U69,593 as the radioligand.				Bioorg Med Chem Lett 6: 1139-1144 (1996) Article DOI: 10.1016/0960-894X(96)00186-2 BindingDB Entry DOI: 10.7270/Q2BP02R9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM50287045 (CHEMBL14680 | N-CBM-TAMO) Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CCC1)CC[C@@]235)ccc4O Show InChI InChI=1S/C46H54N4O8S2/c51-29-9-7-27-19-33-45(13-11-31(53)41-43(45,37(27)39(29)57-41)15-17-49(33)21-25-3-1-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-32(54)42-44(46)16-18-50(22-26-5-2-6-26)34(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,33-34,41-42,51-52H,1-6,11-24H2,(H,47,55)(H,48,56)/t33-,34-,41+,42+,43+,44+,45-,46-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for binding activity against mu opioid receptor in bovine striatal membranes using 0.25 nM [3H]-DAMGO as the radioligand.				Bioorg Med Chem Lett 6: 1139-1144 (1996) Article DOI: 10.1016/0960-894X(96)00186-2 BindingDB Entry DOI: 10.7270/Q2BP02R9
					More data for this Ligand-Target Pair