BDBM50002186 CHEMBL440987::Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Lys(Ac)-Pro-Lys-Leu-Lys

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=QEBIZHIPFQMEOU-QCMAZGQWSA-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 = 50002186   

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))	BDBM50002186 (CHEMBL440987 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Lys...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C77H129N23O15/c1-8-47(6)64(74(114)96-57(25-14-17-35-86-48(7)101)75(115)100-38-20-28-61(100)73(113)95-54(24-13-16-34-79)68(108)97-58(39-45(2)3)70(110)92-53(65(81)105)23-12-15-33-78)99-69(109)56(27-19-37-88-77(84)85)93-67(107)55(26-18-36-87-76(82)83)94-71(111)59(40-46(4)5)98-72(112)60(42-49-21-10-9-11-22-49)91-63(104)44-89-62(103)43-90-66(106)52(80)41-50-29-31-51(102)32-30-50/h9-11,21-22,29-32,45-47,52-61,64,102H,8,12-20,23-28,33-44,78-80H2,1-7H3,(H2,81,105)(H,86,101)(H,89,103)(H,90,106)(H,91,104)(H,92,110)(H,93,107)(H,94,111)(H,95,113)(H,96,114)(H,97,108)(H,98,112)(H,99,109)(H4,82,83,87)(H4,84,85,88)/t47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined				J Med Chem 35: 4330-3 (1992) BindingDB Entry DOI: 10.7270/Q2FB51W2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50002186 (CHEMBL440987 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Lys...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C77H129N23O15/c1-8-47(6)64(74(114)96-57(25-14-17-35-86-48(7)101)75(115)100-38-20-28-61(100)73(113)95-54(24-13-16-34-79)68(108)97-58(39-45(2)3)70(110)92-53(65(81)105)23-12-15-33-78)99-69(109)56(27-19-37-88-77(84)85)93-67(107)55(26-18-36-87-76(82)83)94-71(111)59(40-46(4)5)98-72(112)60(42-49-21-10-9-11-22-49)91-63(104)44-89-62(103)43-90-66(106)52(80)41-50-29-31-51(102)32-30-50/h9-11,21-22,29-32,45-47,52-61,64,102H,8,12-20,23-28,33-44,78-80H2,1-7H3,(H2,81,105)(H,86,101)(H,89,103)(H,90,106)(H,91,104)(H,92,110)(H,93,107)(H,94,111)(H,95,113)(H,96,114)(H,97,108)(H,98,112)(H,99,109)(H4,82,83,87)(H4,84,85,88)/t47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO to opioid receptor mu of rat fore brain membranes was determined				J Med Chem 35: 4330-3 (1992) BindingDB Entry DOI: 10.7270/Q2FB51W2
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50002186 (CHEMBL440987 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Lys...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C77H129N23O15/c1-8-47(6)64(74(114)96-57(25-14-17-35-86-48(7)101)75(115)100-38-20-28-61(100)73(113)95-54(24-13-16-34-79)68(108)97-58(39-45(2)3)70(110)92-53(65(81)105)23-12-15-33-78)99-69(109)56(27-19-37-88-77(84)85)93-67(107)55(26-18-36-87-76(82)83)94-71(111)59(40-46(4)5)98-72(112)60(42-49-21-10-9-11-22-49)91-63(104)44-89-62(103)43-90-66(106)52(80)41-50-29-31-51(102)32-30-50/h9-11,21-22,29-32,45-47,52-61,64,102H,8,12-20,23-28,33-44,78-80H2,1-7H3,(H2,81,105)(H,86,101)(H,89,103)(H,90,106)(H,91,104)(H,92,110)(H,93,107)(H,94,111)(H,95,113)(H,96,114)(H,97,108)(H,98,112)(H,99,109)(H4,82,83,87)(H4,84,85,88)/t47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Inhibition of [3H]-DPDPE to opioid receptor delta of rat fore brain membranes was determined				J Med Chem 35: 4330-3 (1992) BindingDB Entry DOI: 10.7270/Q2FB51W2
					More data for this Ligand-Target Pair