BDBM50057380 Analog of Dynorphin A::CHEMBL408360

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=MHZKLGWFMJFBSS-ODMWZFNZSA-N

Data: 3 KI

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 = 50057380   

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)	BDBM50057380 (Analog of Dynorphin A | CHEMBL408360) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C73H119N21O17/c1-7-43(6)60(69(108)88-50(23-16-32-82-73(79)80)70(109)94-33-17-24-56(94)68(107)87-48(20-11-13-29-74)62(101)90-52(34-41(2)3)64(103)89-51(71(110)111)21-12-14-30-75)93-63(102)49(22-15-31-81-72(77)78)86-67(106)55(38-59(98)99)92-65(104)53(35-42(4)5)91-66(105)54(37-44-18-9-8-10-19-44)85-58(97)40-83-57(96)39-84-61(100)47(76)36-45-25-27-46(95)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,95H,7,11-17,20-24,29-40,74-76H2,1-6H3,(H,83,96)(H,84,100)(H,85,97)(H,86,106)(H,87,107)(H,88,108)(H,89,103)(H,90,101)(H,91,105)(H,92,104)(H,93,102)(H,98,99)(H,110,111)(H4,77,78,81)(H4,79,80,82)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...				J Med Chem 40: 1211-8 (1997) Article DOI: 10.1021/jm960753p BindingDB Entry DOI: 10.7270/Q2BG2N3H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50057380 (Analog of Dynorphin A | CHEMBL408360) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C73H119N21O17/c1-7-43(6)60(69(108)88-50(23-16-32-82-73(79)80)70(109)94-33-17-24-56(94)68(107)87-48(20-11-13-29-74)62(101)90-52(34-41(2)3)64(103)89-51(71(110)111)21-12-14-30-75)93-63(102)49(22-15-31-81-72(77)78)86-67(106)55(38-59(98)99)92-65(104)53(35-42(4)5)91-66(105)54(37-44-18-9-8-10-19-44)85-58(97)40-83-57(96)39-84-61(100)47(76)36-45-25-27-46(95)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,95H,7,11-17,20-24,29-40,74-76H2,1-6H3,(H,83,96)(H,84,100)(H,85,97)(H,86,106)(H,87,107)(H,88,108)(H,89,103)(H,90,101)(H,91,105)(H,92,104)(H,93,102)(H,98,99)(H,110,111)(H4,77,78,81)(H4,79,80,82)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...				J Med Chem 40: 1211-8 (1997) Article DOI: 10.1021/jm960753p BindingDB Entry DOI: 10.7270/Q2BG2N3H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50057380 (Analog of Dynorphin A | CHEMBL408360) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C73H119N21O17/c1-7-43(6)60(69(108)88-50(23-16-32-82-73(79)80)70(109)94-33-17-24-56(94)68(107)87-48(20-11-13-29-74)62(101)90-52(34-41(2)3)64(103)89-51(71(110)111)21-12-14-30-75)93-63(102)49(22-15-31-81-72(77)78)86-67(106)55(38-59(98)99)92-65(104)53(35-42(4)5)91-66(105)54(37-44-18-9-8-10-19-44)85-58(97)40-83-57(96)39-84-61(100)47(76)36-45-25-27-46(95)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,95H,7,11-17,20-24,29-40,74-76H2,1-6H3,(H,83,96)(H,84,100)(H,85,97)(H,86,106)(H,87,107)(H,88,108)(H,89,103)(H,90,101)(H,91,105)(H,92,104)(H,93,102)(H,98,99)(H,110,111)(H4,77,78,81)(H4,79,80,82)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...				J Med Chem 40: 1211-8 (1997) Article DOI: 10.1021/jm960753p BindingDB Entry DOI: 10.7270/Q2BG2N3H
					More data for this Ligand-Target Pair