null

SMILES: NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O

InChI Key: InChIKey=UPVIZTSWVQCULU-JOXXKNRASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50041572   

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))	BDBM50041572 (17-(cyclopropylmethyl)-17'-(2-guanidinoethyl-6,6',...) Show SMILES NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O |THB:42:41:23:46.27.26| Show InChI InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37?,38-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand				J Med Chem 37: 1495-500 (1994) BindingDB Entry DOI: 10.7270/Q2XP75K7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50041572 (17-(cyclopropylmethyl)-17'-(2-guanidinoethyl-6,6',...) Show SMILES NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O |THB:42:41:23:46.27.26| Show InChI InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37?,38-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand				J Med Chem 37: 1495-500 (1994) BindingDB Entry DOI: 10.7270/Q2XP75K7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50041572 (17-(cyclopropylmethyl)-17'-(2-guanidinoethyl-6,6',...) Show SMILES NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O |THB:42:41:23:46.27.26| Show InChI InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37?,38-,39-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand				J Med Chem 37: 1495-500 (1994) BindingDB Entry DOI: 10.7270/Q2XP75K7
					More data for this Ligand-Target Pair