BDBM50058657 5-butyl-18-cyclopropylmethyl-6-methyl-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::CHEMBL303301

SMILES: CCCCc1c(C)[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc12)ccc4O

InChI Key: InChIKey=BTCOKWCUDKSNMX-NNMXSAHVSA-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 = 50058657   

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)	BDBM50058657 (5-butyl-18-cyclopropylmethyl-6-methyl-10-oxa-7,18-...) Show SMILES CCCCc1c(C)[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc12)ccc4O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C27H34N2O3/c1-3-4-5-18-15(2)28-23-19(18)13-27(31)21-12-17-8-9-20(30)24-22(17)26(27,25(23)32-24)10-11-29(21)14-16-6-7-16/h8-9,16,21,25,28,30-31H,3-7,10-14H2,1-2H3/t21?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50058657 (5-butyl-18-cyclopropylmethyl-6-methyl-10-oxa-7,18-...) Show SMILES CCCCc1c(C)[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc12)ccc4O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C27H34N2O3/c1-3-4-5-18-15(2)28-23-19(18)13-27(31)21-12-17-8-9-20(30)24-22(17)26(27,25(23)32-24)10-11-29(21)14-16-6-7-16/h8-9,16,21,25,28,30-31H,3-7,10-14H2,1-2H3/t21?,25-,26?,27+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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)	BDBM50058657 (5-butyl-18-cyclopropylmethyl-6-methyl-10-oxa-7,18-...) Show SMILES CCCCc1c(C)[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc12)ccc4O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21| Show InChI InChI=1S/C27H34N2O3/c1-3-4-5-18-15(2)28-23-19(18)13-27(31)21-12-17-8-9-20(30)24-22(17)26(27,25(23)32-24)10-11-29(21)14-16-6-7-16/h8-9,16,21,25,28,30-31H,3-7,10-14H2,1-2H3/t21?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 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