BDBM50058659 18-cyclopropylmethyl-5,6-dimethyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol::CHEMBL60404

SMILES: Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1C)ccc4O

InChI Key: InChIKey=YKAILWUVFPIRIV-HLIMROSGSA-N

Data: 3 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 3 hits for monomerid = 50058659   

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 (MOUSE)	BDBM50058659 (18-cyclopropylmethyl-5,6-dimethyl-10-oxa-7,18-diaz...) Show SMILES Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1C)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16| Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)25-20-16(12)10-24(28)18-9-15-5-6-17(27)21-19(15)23(24,22(20)29-21)7-8-26(18)11-14-3-4-14/h5-6,14,18,22,25,27-28H,3-4,7-11H2,1-2H3/t18?,22-,23?,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 receptor binding in ICR mouse brain membranes using the radioligand [3H]naltrindole				J Med Chem 40: 1977-81 (1997) Article DOI: 10.1021/jm970189y BindingDB Entry DOI: 10.7270/Q2J38T7Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50058659 (18-cyclopropylmethyl-5,6-dimethyl-10-oxa-7,18-diaz...) Show SMILES Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1C)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16| Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)25-20-16(12)10-24(28)18-9-15-5-6-17(27)21-19(15)23(24,22(20)29-21)7-8-26(18)11-14-3-4-14/h5-6,14,18,22,25,27-28H,3-4,7-11H2,1-2H3/t18?,22-,23?,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 binding in ICR mouse brain membranes using the radioligand [3H]U-69593				J Med Chem 40: 1977-81 (1997) Article DOI: 10.1021/jm970189y BindingDB Entry DOI: 10.7270/Q2J38T7Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50058659 (18-cyclopropylmethyl-5,6-dimethyl-10-oxa-7,18-diaz...) Show SMILES Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1C)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16| Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)25-20-16(12)10-24(28)18-9-15-5-6-17(27)21-19(15)23(24,22(20)29-21)7-8-26(18)11-14-3-4-14/h5-6,14,18,22,25,27-28H,3-4,7-11H2,1-2H3/t18?,22-,23?,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 binding in ICR mouse brain membranes using the radioligand [3H][Ala2,Glyol5]enkephalin				J Med Chem 40: 1977-81 (1997) Article DOI: 10.1021/jm970189y BindingDB Entry DOI: 10.7270/Q2J38T7Q
					More data for this Ligand-Target Pair