BDBM50183553 CHEMBL375412::H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-Nle-D-Trp-H

SMILES: CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=LHFDBKUCTFELLO-WMRIFXDUSA-N

Data: 5 KI  3 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 = 50183553   

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))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	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]DAMGO from rat mu opioid receptor expressed in HN9.10 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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]DPDPE from human delta opioid receptor expressed in HN9.10 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+3	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 [125I]CCK8 from human CCK2 receptor expressed in HEK293 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+3	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 [125I]CCK8 from human CCK2 receptor expressed in HEK293 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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 [125I]CCK8 from human CCK1 receptor expressed in HEK293 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/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	9.80	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 HN9.10 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	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 by inhibition of muscle contraction in electrically stimulated isolated guinea pig ileum				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]CCK8 from human CCK1 receptor expressed in HEK293 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/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	9.30	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/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	9.80	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [35S]GTP-gamma-S binding to rat mu opioid receptor expressed in CHO cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50183553 (CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/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	26	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 by inhibition of muscle contraction in electrically stimulated isolated mouse vas deferens				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair