BDBM21017 Bifunctional Peptide Ligand, 1 (TY003)::H-Tyr-D-Ala-Gly-Phe-Phe-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}-3-phenylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=KNNCZVVJJSCZNH-KOLUZXRDSA-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 = 21017   

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))	BDBM21017 (Bifunctional Peptide Ligand, 1 (TY003) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51+,52+,53+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.880	-12.3	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))	BDBM21017 (Bifunctional Peptide Ligand, 1 (TY003) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51+,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-10.7	n/a	n/a	21	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))	BDBM21017 (Bifunctional Peptide Ligand, 1 (TY003) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51+,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-10.3	n/a	n/a	59	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