BDBM50057391 Analog of Dynorphin A::CHEMBL412413

SMILES: CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=PCNNSTOCKCFRQQ-AXGUWQFGSA-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 = 50057391   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50057391 (Analog of Dynorphin A | CHEMBL412413) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C72H115N19O16/c1-7-43(6)60-69(104)78-31-16-23-50(70(105)91-33-17-24-56(91)68(103)85-48(20-11-13-29-73)62(97)87-52(34-41(2)3)64(99)86-51(71(106)107)21-12-14-30-74)82-57(93)38-55(67(102)84-49(63(98)90-60)22-15-32-79-72(76)77)89-65(100)53(35-42(4)5)88-66(101)54(37-44-18-9-8-10-19-44)83-59(95)40-80-58(94)39-81-61(96)47(75)36-45-25-27-46(92)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,92H,7,11-17,20-24,29-40,73-75H2,1-6H3,(H,78,104)(H,80,94)(H,81,96)(H,82,93)(H,83,95)(H,84,102)(H,85,103)(H,86,99)(H,87,97)(H,88,101)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,79)/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	1.5	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50057391 (Analog of Dynorphin A | CHEMBL412413) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C72H115N19O16/c1-7-43(6)60-69(104)78-31-16-23-50(70(105)91-33-17-24-56(91)68(103)85-48(20-11-13-29-73)62(97)87-52(34-41(2)3)64(99)86-51(71(106)107)21-12-14-30-74)82-57(93)38-55(67(102)84-49(63(98)90-60)22-15-32-79-72(76)77)89-65(100)53(35-42(4)5)88-66(101)54(37-44-18-9-8-10-19-44)83-59(95)40-80-58(94)39-81-61(96)47(75)36-45-25-27-46(92)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,92H,7,11-17,20-24,29-40,73-75H2,1-6H3,(H,78,104)(H,80,94)(H,81,96)(H,82,93)(H,83,95)(H,84,102)(H,85,103)(H,86,99)(H,87,97)(H,88,101)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,79)/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	3.20	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50057391 (Analog of Dynorphin A | CHEMBL412413) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C72H115N19O16/c1-7-43(6)60-69(104)78-31-16-23-50(70(105)91-33-17-24-56(91)68(103)85-48(20-11-13-29-73)62(97)87-52(34-41(2)3)64(99)86-51(71(106)107)21-12-14-30-74)82-57(93)38-55(67(102)84-49(63(98)90-60)22-15-32-79-72(76)77)89-65(100)53(35-42(4)5)88-66(101)54(37-44-18-9-8-10-19-44)83-59(95)40-80-58(94)39-81-61(96)47(75)36-45-25-27-46(92)28-26-45/h8-10,18-19,25-28,41-43,47-56,60,92H,7,11-17,20-24,29-40,73-75H2,1-6H3,(H,78,104)(H,80,94)(H,81,96)(H,82,93)(H,83,95)(H,84,102)(H,85,103)(H,86,99)(H,87,97)(H,88,101)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,79)/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	28	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