BDBM50138771 CHEMBL438044::cyclo[Pro3]Dyn A-(1-11)NH2

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)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=IANWDUVTOGACQH-IHDAWQKLSA-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 = 50138771   

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))	BDBM50138771 (CHEMBL438044 | cyclo[Pro3]Dyn A-(1-11)NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)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/C65H103N23O13/c1-3-36(2)51(60(99)82-44(19-11-29-77-65(73)74)61(100)87-30-12-20-48(87)58(97)79-41(52(68)91)16-7-8-26-66)86-55(94)43(18-10-28-76-64(71)72)80-54(93)42(17-9-27-75-63(69)70)81-57(96)47-35-78-50(90)34-46(84-53(92)40(67)32-38-22-24-39(89)25-23-38)62(101)88-31-13-21-49(88)59(98)83-45(56(95)85-47)33-37-14-5-4-6-15-37/h4-6,14-15,22-25,36,40-49,51,89H,3,7-13,16-21,26-35,66-67H2,1-2H3,(H2,68,91)(H,78,90)(H,79,97)(H,80,93)(H,81,96)(H,82,99)(H,83,98)(H,84,92)(H,85,95)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t36-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.03	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 Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50138771 (CHEMBL438044 | cyclo[Pro3]Dyn A-(1-11)NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)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/C65H103N23O13/c1-3-36(2)51(60(99)82-44(19-11-29-77-65(73)74)61(100)87-30-12-20-48(87)58(97)79-41(52(68)91)16-7-8-26-66)86-55(94)43(18-10-28-76-64(71)72)80-54(93)42(17-9-27-75-63(69)70)81-57(96)47-35-78-50(90)34-46(84-53(92)40(67)32-38-22-24-39(89)25-23-38)62(101)88-31-13-21-49(88)59(98)83-45(56(95)85-47)33-37-14-5-4-6-15-37/h4-6,14-15,22-25,36,40-49,51,89H,3,7-13,16-21,26-35,66-67H2,1-2H3,(H2,68,91)(H,78,90)(H,79,97)(H,80,93)(H,81,96)(H,82,99)(H,83,98)(H,84,92)(H,85,95)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t36-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	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 Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50138771 (CHEMBL438044 | cyclo[Pro3]Dyn A-(1-11)NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)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/C65H103N23O13/c1-3-36(2)51(60(99)82-44(19-11-29-77-65(73)74)61(100)87-30-12-20-48(87)58(97)79-41(52(68)91)16-7-8-26-66)86-55(94)43(18-10-28-76-64(71)72)80-54(93)42(17-9-27-75-63(69)70)81-57(96)47-35-78-50(90)34-46(84-53(92)40(67)32-38-22-24-39(89)25-23-38)62(101)88-31-13-21-49(88)59(98)83-45(56(95)85-47)33-37-14-5-4-6-15-37/h4-6,14-15,22-25,36,40-49,51,89H,3,7-13,16-21,26-35,66-67H2,1-2H3,(H2,68,91)(H,78,90)(H,79,97)(H,80,93)(H,81,96)(H,82,99)(H,83,98)(H,84,92)(H,85,95)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t36-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 Maryland Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50138771 (CHEMBL438044 | cyclo[Pro3]Dyn A-(1-11)NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)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/C65H103N23O13/c1-3-36(2)51(60(99)82-44(19-11-29-77-65(73)74)61(100)87-30-12-20-48(87)58(97)79-41(52(68)91)16-7-8-26-66)86-55(94)43(18-10-28-76-64(71)72)80-54(93)42(17-9-27-75-63(69)70)81-57(96)47-35-78-50(90)34-46(84-53(92)40(67)32-38-22-24-39(89)25-23-38)62(101)88-31-13-21-49(88)59(98)83-45(56(95)85-47)33-37-14-5-4-6-15-37/h4-6,14-15,22-25,36,40-49,51,89H,3,7-13,16-21,26-35,66-67H2,1-2H3,(H2,68,91)(H,78,90)(H,79,97)(H,80,93)(H,81,96)(H,82,99)(H,83,98)(H,84,92)(H,85,95)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t36-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,51-/m0/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	153	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1				J Med Chem 47: 446-55 (2004) Article DOI: 10.1021/jm030298e BindingDB Entry DOI: 10.7270/Q2Q23ZN2
					More data for this Ligand-Target Pair