BDBM50224873 (6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid [2-(4'-methoxy-biphenyl-4-yl)-ethyl]-amide::CHEMBL249985

SMILES: COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1

InChI Key: InChIKey=XREFQBQBSMEQOG-HUSBTFBPSA-N

Data: 6 KI  1 IC50  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 10 hits for monomerid = 50224873   

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))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/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	0.0840	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/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	0.0840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO induced [35S]GTP-gamma-S binding				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))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/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	1.10	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))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/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	0.680	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50224873 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21| Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-10-11-29(20-31(28)34(23,2)17-19-36(32)22-25-4-5-25)33(37)35-18-16-24-6-8-26(9-7-24)27-12-14-30(38-3)15-13-27/h6-15,20,23,25,32H,4-5,16-19,21-22H2,1-3H3,(H,35,37)/t23-,32?,34-/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	11	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