BDBM50422178 CHEMBL2112688

SMILES: CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=LWLWLSWDXYMACR-PAMFSDIKSA-N

Data: 4 IC50

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 = 50422178   

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 (GUINEA PIG)	BDBM50422178 (CHEMBL2112688) Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 was determined in guinea pig wholebrain using [3H]CTOP radioligand				J Med Chem 39: 4120-4 (1996) Article DOI: 10.1021/jm960078j BindingDB Entry DOI: 10.7270/Q2P55P5Z
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50422178 (CHEMBL2112688) Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49+/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards Cholecystokinin type A receptor was determined in guinea pig pancreatic membranes using [125I]-BH-CCK-8 as radioligand				J Med Chem 39: 4120-4 (1996) Article DOI: 10.1021/jm960078j BindingDB Entry DOI: 10.7270/Q2P55P5Z
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50422178 (CHEMBL2112688) Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49+/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand				J Med Chem 39: 4120-4 (1996) Article DOI: 10.1021/jm960078j BindingDB Entry DOI: 10.7270/Q2P55P5Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50422178 (CHEMBL2112688) Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,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	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand				J Med Chem 39: 4120-4 (1996) Article DOI: 10.1021/jm960078j BindingDB Entry DOI: 10.7270/Q2P55P5Z
					More data for this Ligand-Target Pair