BDBM50128083 CHEMBL2369389::Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Arg-NH2

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O

InChI Key: InChIKey=NIPLHZNIWSTWML-GDPUUNNRSA-N

Data: 3 KI

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 = 50128083   

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))	BDBM50128083 (CHEMBL2369389 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C55H89N19O10/c1-5-32(4)44(52(84)68-37(45(57)77)15-9-23-64-53(58)59)73-48(80)39(17-11-25-66-55(62)63)69-47(79)38(16-10-24-65-54(60)61)70-49(81)40(27-31(2)3)71-50(82)41(29-33-13-7-6-8-14-33)72-51(83)42-18-12-26-74(42)43(76)30-67-46(78)36(56)28-34-19-21-35(75)22-20-34/h6-8,13-14,19-22,31-32,36-42,44,75H,5,9-12,15-18,23-30,56H2,1-4H3,(H2,57,77)(H,67,78)(H,68,84)(H,69,79)(H,70,81)(H,71,82)(H,72,83)(H,73,80)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t32-,36-,37-,38-,39-,40-,41-,42?,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.				J Med Chem 46: 2104-9 (2003) Article DOI: 10.1021/jm020125+ BindingDB Entry DOI: 10.7270/Q2NZ88CF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50128083 (CHEMBL2369389 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C55H89N19O10/c1-5-32(4)44(52(84)68-37(45(57)77)15-9-23-64-53(58)59)73-48(80)39(17-11-25-66-55(62)63)69-47(79)38(16-10-24-65-54(60)61)70-49(81)40(27-31(2)3)71-50(82)41(29-33-13-7-6-8-14-33)72-51(83)42-18-12-26-74(42)43(76)30-67-46(78)36(56)28-34-19-21-35(75)22-20-34/h6-8,13-14,19-22,31-32,36-42,44,75H,5,9-12,15-18,23-30,56H2,1-4H3,(H2,57,77)(H,67,78)(H,68,84)(H,69,79)(H,70,81)(H,71,82)(H,72,83)(H,73,80)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t32-,36-,37-,38-,39-,40-,41-,42?,44-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.				J Med Chem 46: 2104-9 (2003) Article DOI: 10.1021/jm020125+ BindingDB Entry DOI: 10.7270/Q2NZ88CF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50128083 (CHEMBL2369389 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C55H89N19O10/c1-5-32(4)44(52(84)68-37(45(57)77)15-9-23-64-53(58)59)73-48(80)39(17-11-25-66-55(62)63)69-47(79)38(16-10-24-65-54(60)61)70-49(81)40(27-31(2)3)71-50(82)41(29-33-13-7-6-8-14-33)72-51(83)42-18-12-26-74(42)43(76)30-67-46(78)36(56)28-34-19-21-35(75)22-20-34/h6-8,13-14,19-22,31-32,36-42,44,75H,5,9-12,15-18,23-30,56H2,1-4H3,(H2,57,77)(H,67,78)(H,68,84)(H,69,79)(H,70,81)(H,71,82)(H,72,83)(H,73,80)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t32-,36-,37-,38-,39-,40-,41-,42?,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.				J Med Chem 46: 2104-9 (2003) Article DOI: 10.1021/jm020125+ BindingDB Entry DOI: 10.7270/Q2NZ88CF
					More data for this Ligand-Target Pair