null

SMILES: CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O

InChI Key: InChIKey=UWPULSYJZRDDKB-CHWFHOFGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122866   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50122866 (22-cyclopropylmethyl-7-(4-butylaminocarbonylaminoe...) Show SMILES CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28| Show InChI InChI=1S/C33H40N4O4/c1-2-3-12-34-31(39)35-13-10-19-6-8-24-22(15-19)23-17-33(40)26-16-21-7-9-25(38)29-27(21)32(33,30(41-29)28(23)36-24)11-14-37(26)18-20-4-5-20/h6-9,15,20,26,30,36,38,40H,2-5,10-14,16-18H2,1H3,(H2,34,35,39)/t26?,30-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122866 (22-cyclopropylmethyl-7-(4-butylaminocarbonylaminoe...) Show SMILES CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28| Show InChI InChI=1S/C33H40N4O4/c1-2-3-12-34-31(39)35-13-10-19-6-8-24-22(15-19)23-17-33(40)26-16-21-7-9-25(38)29-27(21)32(33,30(41-29)28(23)36-24)11-14-37(26)18-20-4-5-20/h6-9,15,20,26,30,36,38,40H,2-5,10-14,16-18H2,1H3,(H2,34,35,39)/t26?,30-,32-,33+/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	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50122866 (22-cyclopropylmethyl-7-(4-butylaminocarbonylaminoe...) Show SMILES CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28| Show InChI InChI=1S/C33H40N4O4/c1-2-3-12-34-31(39)35-13-10-19-6-8-24-22(15-19)23-17-33(40)26-16-21-7-9-25(38)29-27(21)32(33,30(41-29)28(23)36-24)11-14-37(26)18-20-4-5-20/h6-9,15,20,26,30,36,38,40H,2-5,10-14,16-18H2,1H3,(H2,34,35,39)/t26?,30-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
					More data for this Ligand-Target Pair