BDBM50354577 CHEMBL1834416

SMILES: CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

InChI Key: InChIKey=QEUMZRGQWVOUCP-FPHSBRQASA-N

Data: 4 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 4 hits for monomerid = 50354577   

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))	BDBM50354577 (CHEMBL1834416) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 54: 6531-7 (2011) Article DOI: 10.1021/jm2003238 BindingDB Entry DOI: 10.7270/Q2NS0V9T
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50354577 (CHEMBL1834416) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 54: 6531-7 (2011) Article DOI: 10.1021/jm2003238 BindingDB Entry DOI: 10.7270/Q2NS0V9T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50354577 (CHEMBL1834416) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 54: 6531-7 (2011) Article DOI: 10.1021/jm2003238 BindingDB Entry DOI: 10.7270/Q2NS0V9T
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50354577 (CHEMBL1834416) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...				J Med Chem 54: 6531-7 (2011) Article DOI: 10.1021/jm2003238 BindingDB Entry DOI: 10.7270/Q2NS0V9T
					More data for this Ligand-Target Pair