BDBM50165050 17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide::CHEMBL195285

SMILES: COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O

InChI Key: InChIKey=AIBFBJNNRKSGIA-ZPMCFJSWSA-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 = 50165050   

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))	BDBM50165050 (17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(...) Show SMILES COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O Show InChI InChI=1S/C22H28N2O4/c1-28-19-16(20(23)26)5-4-14-10-17-22(27)7-6-15(25)11-21(22,18(14)19)8-9-24(17)12-13-2-3-13/h4-5,13,17,27H,2-3,6-12H2,1H3,(H2,23,26)/t17-,21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank 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
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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50165050 (17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(...) Show SMILES COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O Show InChI InChI=1S/C22H28N2O4/c1-28-19-16(20(23)26)5-4-14-10-17-22(27)7-6-15(25)11-21(22,18(14)19)8-9-24(17)12-13-2-3-13/h4-5,13,17,27H,2-3,6-12H2,1H3,(H2,23,26)/t17-,21-,22-/m1/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50165050 (17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(...) Show SMILES COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O Show InChI InChI=1S/C22H28N2O4/c1-28-19-16(20(23)26)5-4-14-10-17-22(27)7-6-15(25)11-21(22,18(14)19)8-9-24(17)12-13-2-3-13/h4-5,13,17,27H,2-3,6-12H2,1H3,(H2,23,26)/t17-,21-,22-/m1/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	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