null

SMILES: [H][C@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(O)Cc1c2[nH]c2ccc(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCC\N=C(/N)Nc4ccc5[nH]c6c(C[C@]7(O)C8Cc9ccc(O)c%10O[C@@]6([H])C7(CCN8CC6CC6)c9%10)c5c4)cc12)ccc3O

InChI Key: InChIKey=TWMJSKMWXYAWJY-CDUJTHSNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50474627   

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/Kappa-type/Mu-type opioid receptor (MOUSE-Mus musculus (Mouse))	BDBM50474627 (CHEMBL440626) Show SMILES [H][C@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(O)Cc1c2[nH]c2ccc(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCC\N=C(/N)Nc4ccc5[nH]c6c(C[C@]7(O)C8Cc9ccc(O)c%10O[C@@]6([H])C7(CCN8CC6CC6)c9%10)c5c4)cc12)ccc3O |TLB:66:65:86.69.68:81.79.80,82:81:65:86.69.68,74:86:65:81.79.80,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C68H77N13O12/c69-64(77-39-9-11-45-41(25-39)43-27-68(91)49-23-37-7-13-47(83)61-57(37)66(68,63(93-61)59(43)79-45)17-21-81(49)33-35-4-5-35)71-19-1-18-70-52(86)28-74-53(87)29-72-50(84)14-15-51(85)73-30-54(88)75-31-55(89)76-38-8-10-44-40(24-38)42-26-67(90)48-22-36-6-12-46(82)60-56(36)65(67,62(92-60)58(42)78-44)16-20-80(48)32-34-2-3-34/h6-13,24-25,34-35,48-49,62-63,78-79,82-83,90-91H,1-5,14-23,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,76,89)(H3,69,71,77)/t48?,49?,62-,63-,65?,66?,67+,68+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor				J Med Chem 47: 2969-72 (2004) Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (MOUSE-Mus musculus (Mouse))	BDBM50474627 (CHEMBL440626) Show SMILES [H][C@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(O)Cc1c2[nH]c2ccc(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCC\N=C(/N)Nc4ccc5[nH]c6c(C[C@]7(O)C8Cc9ccc(O)c%10O[C@@]6([H])C7(CCN8CC6CC6)c9%10)c5c4)cc12)ccc3O |TLB:66:65:86.69.68:81.79.80,82:81:65:86.69.68,74:86:65:81.79.80,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C68H77N13O12/c69-64(77-39-9-11-45-41(25-39)43-27-68(91)49-23-37-7-13-47(83)61-57(37)66(68,63(93-61)59(43)79-45)17-21-81(49)33-35-4-5-35)71-19-1-18-70-52(86)28-74-53(87)29-72-50(84)14-15-51(85)73-30-54(88)75-31-55(89)76-38-8-10-44-40(24-38)42-26-67(90)48-22-36-6-12-46(82)60-56(36)65(67,62(92-60)58(42)78-44)16-20-80(48)32-34-2-3-34/h6-13,24-25,34-35,48-49,62-63,78-79,82-83,90-91H,1-5,14-23,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,76,89)(H3,69,71,77)/t48?,49?,62-,63-,65?,66?,67+,68+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor...				J Med Chem 47: 2969-72 (2004) Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39
					More data for this Ligand-Target Pair