null

SMILES: CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

InChI Key: InChIKey=YQNZELNRCAEXEY-DHILHQQKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50038006   

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))	BDBM50038006 (CHEMBL404929 | Tyr-Gly-Gly-Phe-D-Pen-Arg-Arg-Ile-A...) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-55(92)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)54(91)79-43(49(63)86)33-95-27-28-96-61(3,4)48(56(93)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)81-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,93)(H,78,92)(H,79,91)(H,80,89)(H,81,90)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39+,40-,41-,42-,43-,44+,47+,48+/m0/s1	PDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69,593 displacement.				J Med Chem 37: 3910-7 (1994) BindingDB Entry DOI: 10.7270/Q22N51BK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50038006 (CHEMBL404929 | Tyr-Gly-Gly-Phe-D-Pen-Arg-Arg-Ile-A...) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-55(92)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)54(91)79-43(49(63)86)33-95-27-28-96-61(3,4)48(56(93)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)81-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,93)(H,78,92)(H,79,91)(H,80,89)(H,81,90)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39+,40-,41-,42-,43-,44+,47+,48+/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity at delta opioid receptor in guinea pig brain by [3H]c[D-Pen2, p-Cl-Phe4, D-Pen5]-enkephalin displacement.				J Med Chem 37: 3910-7 (1994) BindingDB Entry DOI: 10.7270/Q22N51BK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50038006 (CHEMBL404929 | Tyr-Gly-Gly-Phe-D-Pen-Arg-Arg-Ile-A...) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O Show InChI InChI=1S/C61H97N21O12S2/c1-5-34(2)47-55(92)78-41(17-11-25-72-60(68)69)57(94)82-26-12-18-44(82)54(91)79-43(49(63)86)33-95-27-28-96-61(3,4)48(56(93)77-39(15-9-23-70-58(64)65)51(88)76-40(52(89)80-47)16-10-24-71-59(66)67)81-53(90)42(30-35-13-7-6-8-14-35)75-46(85)32-73-45(84)31-74-50(87)38(62)29-36-19-21-37(83)22-20-36/h6-8,13-14,19-22,34,38-44,47-48,83H,5,9-12,15-18,23-33,62H2,1-4H3,(H2,63,86)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,93)(H,78,92)(H,79,91)(H,80,89)(H,81,90)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,38-,39+,40-,41-,42-,43-,44+,47+,48+/m0/s1	B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity at mu opioid receptor in guinea pig brain by [3H]-DAMGO displacement.				J Med Chem 37: 3910-7 (1994) BindingDB Entry DOI: 10.7270/Q22N51BK
					More data for this Ligand-Target Pair