BDBM50224872 (6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid (2-biphenyl-3-yl-ethyl)-amide::CHEMBL401278

SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1

InChI Key: InChIKey=FXAPPSUTMKSLEJ-CHCCDMOGSA-N

Data: 3 KI  3 EC50

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 6 hits for monomerid = 50224872   

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))	BDBM50224872 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-13-14-29(20-30(28)33(23,2)16-18-35(31)22-25-11-12-25)32(36)34-17-15-24-7-6-10-27(19-24)26-8-4-3-5-9-26/h3-10,13-14,19-20,23,25,31H,11-12,15-18,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50224872 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-13-14-29(20-30(28)33(23,2)16-18-35(31)22-25-11-12-25)32(36)34-17-15-24-7-6-10-27(19-24)26-8-4-3-5-9-26/h3-10,13-14,19-20,23,25,31H,11-12,15-18,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50224872 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-13-14-29(20-30(28)33(23,2)16-18-35(31)22-25-11-12-25)32(36)34-17-15-24-7-6-10-27(19-24)26-8-4-3-5-9-26/h3-10,13-14,19-20,23,25,31H,11-12,15-18,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50224872 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-13-14-29(20-30(28)33(23,2)16-18-35(31)22-25-11-12-25)32(36)34-17-15-24-7-6-10-27(19-24)26-8-4-3-5-9-26/h3-10,13-14,19-20,23,25,31H,11-12,15-18,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50224872 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-13-14-29(20-30(28)33(23,2)16-18-35(31)22-25-11-12-25)32(36)34-17-15-24-7-6-10-27(19-24)26-8-4-3-5-9-26/h3-10,13-14,19-20,23,25,31H,11-12,15-18,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50224872 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-13-14-29(20-30(28)33(23,2)16-18-35(31)22-25-11-12-25)32(36)34-17-15-24-7-6-10-27(19-24)26-8-4-3-5-9-26/h3-10,13-14,19-20,23,25,31H,11-12,15-18,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair