BDBM50013625 22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol::22-cyclopropylmethyl-11-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15(25),16,18-heptaene-2,16-diol(HCl2H2O)::22-cyclopropylmethyl-11-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol

SMILES: Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O

InChI Key: InChIKey=CRTCCMARDBQOKA-SSNGLDLMSA-N

Data: 6 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 6 hits for monomerid = 50013625   

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))	BDBM50013625 (22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-...) Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.0200	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 was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50013625 (22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-...) Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.0200	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 was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of opioid receptor delta				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50013625 (22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-...) Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	14	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 was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50013625 (22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-...) Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	14	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 was measured by the displacement of [3H]- EK in guinea pig brain membrane of Opioid receptor kappa 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013625 (22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-...) Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	65	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 was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013625 (22-cyclopropylmethyl-11-methyl-(1S,2S,13R)-14-oxa-...) Show SMILES Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15| Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	65	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 was measured by the displacement of [3H]- EK in guinea pig brain membrane of Opioid receptor kappa 1				J Med Chem 33: 1714-20 (1990) BindingDB Entry DOI: 10.7270/Q27P9003
					More data for this Ligand-Target Pair