BDBM50264407 CHEMBL448998::Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-NH-Bzl

SMILES: CSCC[C@H](NC(=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)NCc1ccccc1

InChI Key: InChIKey=VUSRUVIDWSRKBU-POSUKJBFSA-N

Data: 2 KI  6 IC50  3 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 11 hits for monomerid = 50264407   

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 (Homo sapiens (Human))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane by liquid scintillation counting				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membrane by liquid scintillation counting				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membrane by liquid scintillation counting				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in mouse HN9.10 cells by [35S]GTPgammaS binding assay				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membrane by liquid scintillation counting				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig ileum longitudinal muscle with myenteric plexus assessed as inhibition of electrically-s...				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cells by [35S]GTPgammaS binding assay				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane by liquid scintillation counting				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cells by [35S]GTPgammaS binding assay				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264407 (CHEMBL448998 | Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-N...) Show SMILES CSCC[C@H](NC(=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)NCc1ccccc1 |r| Show InChI InChI=1S/C57H72N10O9S/c1-35(2)28-46(54(73)65-48(53(72)60-32-39-16-9-6-10-17-39)31-40-33-59-44-19-12-11-18-42(40)44)66-56(75)49-20-13-26-67(49)57(76)45(25-27-77-4)64-55(74)47(30-37-14-7-5-8-15-37)63-50(69)34-61-51(70)36(3)62-52(71)43(58)29-38-21-23-41(68)24-22-38/h5-12,14-19,21-24,33,35-36,43,45-49,59,68H,13,20,25-32,34,58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,69)(H,64,74)(H,65,73)(H,66,75)/t36-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membrane by liquid scintillation counting				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair