null

SMILES: [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O

InChI Key: InChIKey=QAYRDEDJZRVDOD-RUYHGFBFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50474628   

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))	BDBM50474628 (CHEMBL386810) Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:64:63:87.67.66:82.80.81,83:82:63:87.67.66,72:87:63:82.80.81,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/C67H75N13O12/c68-63(75-37-10-11-42-39(24-37)41-26-67(90)47-23-35-8-12-44(81)59-54(35)64(67,61(91-59)57(41)77-42)16-20-80(47)32-34-6-7-34)70-19-18-69-50(85)27-73-51(86)28-71-48(83)14-15-49(84)72-29-52(87)74-30-53(88)76-43-3-1-2-38-40-25-66(89)46-22-36-9-13-45(82)60-55(36)65(66,17-21-79(46)31-33-4-5-33)62(92-60)58(40)78-56(38)43/h1-3,8-13,24,33-34,46-47,61-62,77-78,81-82,89-90H,4-7,14-23,25-32H2,(H,69,85)(H,71,83)(H,72,84)(H,73,86)(H,74,87)(H,76,88)(H3,68,70,75)/t46?,47?,61-,62-,64?,65?,66+,67+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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
Delta-type/Kappa-type/Mu-type opioid receptor (MOUSE-Mus musculus (Mouse))	BDBM50474628 (CHEMBL386810) Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:64:63:87.67.66:82.80.81,83:82:63:87.67.66,72:87:63:82.80.81,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/C67H75N13O12/c68-63(75-37-10-11-42-39(24-37)41-26-67(90)47-23-35-8-12-44(81)59-54(35)64(67,61(91-59)57(41)77-42)16-20-80(47)32-34-6-7-34)70-19-18-69-50(85)27-73-51(86)28-71-48(83)14-15-49(84)72-29-52(87)74-30-53(88)76-43-3-1-2-38-40-25-66(89)46-22-36-9-13-45(82)60-55(36)65(66,17-21-79(46)31-33-4-5-33)62(92-60)58(40)78-56(38)43/h1-3,8-13,24,33-34,46-47,61-62,77-78,81-82,89-90H,4-7,14-23,25-32H2,(H,69,85)(H,71,83)(H,72,84)(H,73,86)(H,74,87)(H,76,88)(H3,68,70,75)/t46?,47?,61-,62-,64?,65?,66+,67+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	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 receptors.				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