BDBM21024 Bifunctional Peptide Ligand, 8 (TY019)::H-Tyr-D-Ala-Gly-Phe-N-Me-Nle-Pro-Leu-Trp-O-3,5-Bzl(CF3)2::[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-N-methyl-3-phenylpropanamido]hexanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate

SMILES: CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ANWNICGWIMZWIK-UPKFDLETSA-N

Data: 3 KI  2 EC50

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 = 21024   

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
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM21024 (Bifunctional Peptide Ligand, 8 (TY019) | H-Tyr-D-A...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C61H73F6N9O10/c1-6-7-18-51(75(5)57(83)48(29-37-14-9-8-10-15-37)72-52(78)33-70-53(79)36(4)71-54(80)45(68)28-38-20-22-43(77)23-21-38)58(84)76-24-13-19-50(76)56(82)73-47(25-35(2)3)55(81)74-49(30-40-32-69-46-17-12-11-16-44(40)46)59(85)86-34-39-26-41(60(62,63)64)31-42(27-39)61(65,66)67/h8-12,14-17,20-23,26-27,31-32,35-36,45,47-51,69,77H,6-7,13,18-19,24-25,28-30,33-34,68H2,1-5H3,(H,70,79)(H,71,80)(H,72,78)(H,73,82)(H,74,81)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.710	-12.5	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21024 (Bifunctional Peptide Ligand, 8 (TY019) | H-Tyr-D-A...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C61H73F6N9O10/c1-6-7-18-51(75(5)57(83)48(29-37-14-9-8-10-15-37)72-52(78)33-70-53(79)36(4)71-54(80)45(68)28-38-20-22-43(77)23-21-38)58(84)76-24-13-19-50(76)56(82)73-47(25-35(2)3)55(81)74-49(30-40-32-69-46-17-12-11-16-44(40)46)59(85)86-34-39-26-41(60(62,63)64)31-42(27-39)61(65,66)67/h8-12,14-17,20-23,26-27,31-32,35-36,45,47-51,69,77H,6-7,13,18-19,24-25,28-30,33-34,68H2,1-5H3,(H,70,79)(H,71,80)(H,72,78)(H,73,82)(H,74,81)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	77	-9.70	n/a	n/a	360	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21024 (Bifunctional Peptide Ligand, 8 (TY019) | H-Tyr-D-A...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C61H73F6N9O10/c1-6-7-18-51(75(5)57(83)48(29-37-14-9-8-10-15-37)72-52(78)33-70-53(79)36(4)71-54(80)45(68)28-38-20-22-43(77)23-21-38)58(84)76-24-13-19-50(76)56(82)73-47(25-35(2)3)55(81)74-49(30-40-32-69-46-17-12-11-16-44(40)46)59(85)86-34-39-26-41(60(62,63)64)31-42(27-39)61(65,66)67/h8-12,14-17,20-23,26-27,31-32,35-36,45,47-51,69,77H,6-7,13,18-19,24-25,28-30,33-34,68H2,1-5H3,(H,70,79)(H,71,80)(H,72,78)(H,73,82)(H,74,81)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	-9.34	n/a	n/a	150	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair