BDBM50032530 17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one::CHEMBL105665

SMILES: COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12

InChI Key: InChIKey=HHLFEKGPFKSEJX-FQUBMZHMSA-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 = 50032530   

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 (Cavia porcellus (domestic guinea pig))	BDBM50032530 (17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...) Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:24:23:26.7.8:10.16.15,11:10:23:26.7.8,THB:2:26:23:10.16.15| Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pig brain ...				J Med Chem 38: 3071-7 (1995) BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50032530 (17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...) Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:24:23:26.7.8:10.16.15,11:10:23:26.7.8,THB:2:26:23:10.16.15| Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...				J Med Chem 38: 3071-7 (1995) BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50032530 (17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...) Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:24:23:26.7.8:10.16.15,11:10:23:26.7.8,THB:2:26:23:10.16.15| Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Innsbruck Curated by ChEMBL					Assay Description In vivo binding affinity was evaluated by measuring the ability to displace [3H]DPDPE radioligand binding from delta opioid receptor in guinea pig br...				J Med Chem 38: 3071-7 (1995) BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
					More data for this Ligand-Target Pair