BDBM50265490 CHEMBL501238::N-{m-[R(+)-1]Ureaphenoxy}ethyldiglycolamidehydrazide-N'-oxymorphyldiglycolamidedihydrazide

SMILES: CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35

InChI Key: InChIKey=XLQIEICIMTUDOM-GFCLZHIZSA-N

Data: 4 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 4 hits for monomerid = 50265490   

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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	356	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair