BDBM50123602 CHEMBL3622716

SMILES: [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC

InChI Key: InChIKey=ZKIYNWJCXRAJTI-QASJVYOVSA-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 = 50123602   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50123602 (CHEMBL3622716) Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20+,21+,22+,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 25: 4689-92 (2015) BindingDB Entry DOI: 10.7270/Q2NV9M2W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50123602 (CHEMBL3622716) Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20+,21+,22+,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 25: 4689-92 (2015) BindingDB Entry DOI: 10.7270/Q2NV9M2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123602 (CHEMBL3622716) Show SMILES [H][C@]12CC[C@@]3(C)[C@@H](C[C@](CCCCCI)(COC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C28H39IO7/c1-26-11-8-19-25(32)36-21(18-9-13-35-16-18)15-27(19,2)22(26)23(30)28(17-33-3,10-6-5-7-12-29)14-20(26)24(31)34-4/h9,13,16,19-22H,5-8,10-12,14-15,17H2,1-4H3/t19-,20+,21+,22+,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 25: 4689-92 (2015) BindingDB Entry DOI: 10.7270/Q2NV9M2W
					More data for this Ligand-Target Pair