BDBM50165051 17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one::CHEMBL195787

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O

InChI Key: InChIKey=JPQCJRFXGOOSTK-NSISKUIASA-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 = 50165051   

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))	BDBM50165051 (17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O Show InChI InChI=1S/C20H25NO4/c22-14-5-6-20(25)16-9-13-3-4-15(23)18(24)17(13)19(20,10-14)7-8-21(16)11-12-1-2-12/h3-4,12,16,23-25H,1-2,5-11H2/t16-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50165051 (17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O Show InChI InChI=1S/C20H25NO4/c22-14-5-6-20(25)16-9-13-3-4-15(23)18(24)17(13)19(20,10-14)7-8-21(16)11-12-1-2-12/h3-4,12,16,23-25H,1-2,5-11H2/t16-,19-,20-/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	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligand				Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50165051 (17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O Show InChI InChI=1S/C20H25NO4/c22-14-5-6-20(25)16-9-13-3-4-15(23)18(24)17(13)19(20,10-14)7-8-21(16)11-12-1-2-12/h3-4,12,16,23-25H,1-2,5-11H2/t16-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 expressed in CHO cells using [3H]Naltrindole as radioligand				Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63
					More data for this Ligand-Target Pair