BDBM50133054 CHEMBL412228::Opioid Peptide [d-Ala(8)]Dynorphin derivative

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

InChI Key: InChIKey=RIXUVXTZZUBNCB-BMTNGAPESA-N

Data: 3 KI  1 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 4 hits for monomerid = 50133054   

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 (Rattus norvegicus (rat))	BDBM50133054 (CHEMBL412228 | Opioid Peptide [d-Ala(8)]Dynorphin ...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C61H100N22O12/c1-35(2)30-45(81-57(94)47(32-37-14-6-5-7-15-37)82(4)49(86)34-74-48(85)33-75-52(89)40(63)31-38-21-23-39(84)24-22-38)55(92)79-43(18-11-27-72-60(67)68)54(91)78-42(17-10-26-71-59(65)66)53(90)76-36(3)51(88)80-44(19-12-28-73-61(69)70)58(95)83-29-13-20-46(83)56(93)77-41(50(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-47,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-dipren...				J Med Chem 46: 4002-8 (2003) Article DOI: 10.1021/jm030075o BindingDB Entry DOI: 10.7270/Q2CN739H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133054 (CHEMBL412228 | Opioid Peptide [d-Ala(8)]Dynorphin ...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C61H100N22O12/c1-35(2)30-45(81-57(94)47(32-37-14-6-5-7-15-37)82(4)49(86)34-74-48(85)33-75-52(89)40(63)31-38-21-23-39(84)24-22-38)55(92)79-43(18-11-27-72-60(67)68)54(91)78-42(17-10-26-71-59(65)66)53(90)76-36(3)51(88)80-44(19-12-28-73-61(69)70)58(95)83-29-13-20-46(83)56(93)77-41(50(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-47,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity towards rat Opioid receptor mu 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-DAMGO				J Med Chem 46: 4002-8 (2003) Article DOI: 10.1021/jm030075o BindingDB Entry DOI: 10.7270/Q2CN739H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50133054 (CHEMBL412228 | Opioid Peptide [d-Ala(8)]Dynorphin ...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C61H100N22O12/c1-35(2)30-45(81-57(94)47(32-37-14-6-5-7-15-37)82(4)49(86)34-74-48(85)33-75-52(89)40(63)31-38-21-23-39(84)24-22-38)55(92)79-43(18-11-27-72-60(67)68)54(91)78-42(17-10-26-71-59(65)66)53(90)76-36(3)51(88)80-44(19-12-28-73-61(69)70)58(95)83-29-13-20-46(83)56(93)77-41(50(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-47,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound towards mouse Opioid receptor delta 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-DPDG...				J Med Chem 46: 4002-8 (2003) Article DOI: 10.1021/jm030075o BindingDB Entry DOI: 10.7270/Q2CN739H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133054 (CHEMBL412228 | Opioid Peptide [d-Ala(8)]Dynorphin ...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C61H100N22O12/c1-35(2)30-45(81-57(94)47(32-37-14-6-5-7-15-37)82(4)49(86)34-74-48(85)33-75-52(89)40(63)31-38-21-23-39(84)24-22-38)55(92)79-43(18-11-27-72-60(67)68)54(91)78-42(17-10-26-71-59(65)66)53(90)76-36(3)51(88)80-44(19-12-28-73-61(69)70)58(95)83-29-13-20-46(83)56(93)77-41(50(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-47,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47-/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	3.56	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1				J Med Chem 46: 4002-8 (2003) Article DOI: 10.1021/jm030075o BindingDB Entry DOI: 10.7270/Q2CN739H
					More data for this Ligand-Target Pair