BDBM21009 C-terminal modified bifunctional peptide, 2::H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-O-Bzl::benzyl (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-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)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

InChI Key: InChIKey=AWLKNBWKVMBAKT-FDXPNMITSA-N

Data: 4 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 4 hits for monomerid = 21009   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21009 (C-terminal modified bifunctional peptide, 2 | H-Ty...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=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)OCc1ccccc1 Show InChI InChI=1S/C52H62N8O9/c1-32(2)25-42(49(65)59-44(52(68)69-31-36-15-8-5-9-16-36)28-37-29-54-41-18-11-10-17-39(37)41)58-50(66)45-19-12-24-60(45)51(67)43(27-34-13-6-4-7-14-34)57-46(62)30-55-47(63)33(3)56-48(64)40(53)26-35-20-22-38(61)23-21-35/h4-11,13-18,20-23,29,32-33,40,42-45,54,61H,12,19,24-28,30-31,53H2,1-3H3,(H,55,63)(H,56,64)(H,57,62)(H,58,66)(H,59,65)/t33-,40+,42+,43+,44+,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-10.3	n/a	n/a	36	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 51: 1369-76 (2008) Article DOI: 10.1021/jm070332f BindingDB Entry DOI: 10.7270/Q2X63K7C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21009 (C-terminal modified bifunctional peptide, 2 | H-Ty...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=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)OCc1ccccc1 Show InChI InChI=1S/C52H62N8O9/c1-32(2)25-42(49(65)59-44(52(68)69-31-36-15-8-5-9-16-36)28-37-29-54-41-18-11-10-17-39(37)41)58-50(66)45-19-12-24-60(45)51(67)43(27-34-13-6-4-7-14-34)57-46(62)30-55-47(63)33(3)56-48(64)40(53)26-35-20-22-38(61)23-21-35/h4-11,13-18,20-23,29,32-33,40,42-45,54,61H,12,19,24-28,30-31,53H2,1-3H3,(H,55,63)(H,56,64)(H,57,62)(H,58,66)(H,59,65)/t33-,40+,42+,43+,44+,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	-10.2	n/a	n/a	85	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 51: 1369-76 (2008) Article DOI: 10.1021/jm070332f BindingDB Entry DOI: 10.7270/Q2X63K7C
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM21009 (C-terminal modified bifunctional peptide, 2 | H-Ty...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=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)OCc1ccccc1 Show InChI InChI=1S/C52H62N8O9/c1-32(2)25-42(49(65)59-44(52(68)69-31-36-15-8-5-9-16-36)28-37-29-54-41-18-11-10-17-39(37)41)58-50(66)45-19-12-24-60(45)51(67)43(27-34-13-6-4-7-14-34)57-46(62)30-55-47(63)33(3)56-48(64)40(53)26-35-20-22-38(61)23-21-35/h4-11,13-18,20-23,29,32-33,40,42-45,54,61H,12,19,24-28,30-31,53H2,1-3H3,(H,55,63)(H,56,64)(H,57,62)(H,58,66)(H,59,65)/t33-,40+,42+,43+,44+,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	-9.54	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 51: 1369-76 (2008) Article DOI: 10.1021/jm070332f BindingDB Entry DOI: 10.7270/Q2X63K7C
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM21009 (C-terminal modified bifunctional peptide, 2 | H-Ty...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=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)OCc1ccccc1 Show InChI InChI=1S/C52H62N8O9/c1-32(2)25-42(49(65)59-44(52(68)69-31-36-15-8-5-9-16-36)28-37-29-54-41-18-11-10-17-39(37)41)58-50(66)45-19-12-24-60(45)51(67)43(27-34-13-6-4-7-14-34)57-46(62)30-55-47(63)33(3)56-48(64)40(53)26-35-20-22-38(61)23-21-35/h4-11,13-18,20-23,29,32-33,40,42-45,54,61H,12,19,24-28,30-31,53H2,1-3H3,(H,55,63)(H,56,64)(H,57,62)(H,58,66)(H,59,65)/t33-,40+,42+,43+,44+,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	270	-8.95	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 51: 1369-76 (2008) Article DOI: 10.1021/jm070332f BindingDB Entry DOI: 10.7270/Q2X63K7C
					More data for this Ligand-Target Pair