BDBM50066531 methyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarboxamido]-4-cyclopropylmethyl-14-oxo-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-10-yloxy]acetate

SMILES: COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1

InChI Key: InChIKey=DIFNRVFIVBFMQU-QGYGKFGXSA-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 = 50066531   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50066531 (methyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarb...) Show SMILES COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:22:23:28:12.18.17,8:9:28:12.18.17| Show InChI InChI=1S/C32H33ClN2O6/c1-39-27(38)18-40-24-10-7-21-16-25-32(34-26(37)11-6-19-4-8-22(33)9-5-19)13-12-23(36)30-31(32,28(21)29(24)41-30)14-15-35(25)17-20-2-3-20/h4-11,20,25,30H,2-3,12-18H2,1H3,(H,34,37)/b11-6+/t25?,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.				J Med Chem 41: 3493-8 (1998) Article DOI: 10.1021/jm9810248 BindingDB Entry DOI: 10.7270/Q2FQ9X9H
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50066531 (methyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarb...) Show SMILES COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:22:23:28:12.18.17,8:9:28:12.18.17| Show InChI InChI=1S/C32H33ClN2O6/c1-39-27(38)18-40-24-10-7-21-16-25-32(34-26(37)11-6-19-4-8-22(33)9-5-19)13-12-23(36)30-31(32,28(21)29(24)41-30)14-15-35(25)17-20-2-3-20/h4-11,20,25,30H,2-3,12-18H2,1H3,(H,34,37)/b11-6+/t25?,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.				J Med Chem 41: 3493-8 (1998) Article DOI: 10.1021/jm9810248 BindingDB Entry DOI: 10.7270/Q2FQ9X9H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50066531 (methyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarb...) Show SMILES COC(=O)COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:22:23:28:12.18.17,8:9:28:12.18.17| Show InChI InChI=1S/C32H33ClN2O6/c1-39-27(38)18-40-24-10-7-21-16-25-32(34-26(37)11-6-19-4-8-22(33)9-5-19)13-12-23(36)30-31(32,28(21)29(24)41-30)14-15-35(25)17-20-2-3-20/h4-11,20,25,30H,2-3,12-18H2,1H3,(H,34,37)/b11-6+/t25?,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.				J Med Chem 41: 3493-8 (1998) Article DOI: 10.1021/jm9810248 BindingDB Entry DOI: 10.7270/Q2FQ9X9H
					More data for this Ligand-Target Pair