BDBM50515051 CHEMBL4439431

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC

InChI Key: InChIKey=DNFQAWUDLDDLDB-BLEUKKESSA-N

Data: 5 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 8 hits for monomerid = 50515051   

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
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	397	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at MOR in Wistar rat brain membranes in presence of naloxone after 60 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	452	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at CB1R in Wistar rat brain membranes in presence of rimonabant after 60 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50515051 (CHEMBL4439431) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(=O)NCCCCCCNC(=O)CCCCCn1cc(C(=O)c2cccc4ccccc24)c2ccccc12)ccc3OC |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C51H59N5O7/c1-55-30-26-50-46-35-22-23-42(61-2)48(46)63-49(50)40(24-25-51(50,60)43(55)31-35)54-62-33-45(58)53-28-12-4-3-11-27-52-44(57)21-6-5-13-29-56-32-39(37-18-9-10-20-41(37)56)47(59)38-19-14-16-34-15-7-8-17-36(34)38/h7-10,14-20,22-23,32,43,49,60H,3-6,11-13,21,24-31,33H2,1-2H3,(H,52,57)(H,53,58)/b54-40-/t43-,49+,50+,51-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at CB2R in Wistar rat brain membranes in presence of AM630 after 60 mins by [35S]-GTPgammaS binding assay				Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037
					More data for this Ligand-Target Pair