BDBM50272299 (1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-yl 4-phenylbenzoate hydrochloride::CHEMBL451320

SMILES: O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12

InChI Key: InChIKey=YDCPNEXWIXJQQB-PNIVXLCQSA-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 = 50272299   

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 (Homo sapiens (Human))	BDBM50272299 ((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1| Show InChI InChI=1S/C34H37NO3/c36-32(27-13-11-26(12-14-27)25-9-2-1-3-10-25)38-29-16-15-28-21-31-34(37)18-5-4-17-33(34,30(28)22-29)19-20-35(31)23-24-7-6-8-24/h1-3,9-16,22,24,31,37H,4-8,17-21,23H2/t31-,33+,34-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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]DAMGO from human mu opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 4474-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.054 BindingDB Entry DOI: 10.7270/Q2K07423
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50272299 ((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1| Show InChI InChI=1S/C34H37NO3/c36-32(27-13-11-26(12-14-27)25-9-2-1-3-10-25)38-29-16-15-28-21-31-34(37)18-5-4-17-33(34,30(28)22-29)19-20-35(31)23-24-7-6-8-24/h1-3,9-16,22,24,31,37H,4-8,17-21,23H2/t31-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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]U69593 from human kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 4474-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.054 BindingDB Entry DOI: 10.7270/Q2K07423
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50272299 ((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...) Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1| Show InChI InChI=1S/C34H37NO3/c36-32(27-13-11-26(12-14-27)25-9-2-1-3-10-25)38-29-16-15-28-21-31-34(37)18-5-4-17-33(34,30(28)22-29)19-20-35(31)23-24-7-6-8-24/h1-3,9-16,22,24,31,37H,4-8,17-21,23H2/t31-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	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]Naltindole from human delta opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 4474-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.054 BindingDB Entry DOI: 10.7270/Q2K07423
					More data for this Ligand-Target Pair