BDBM50001192 CHEMBL2112568

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O

InChI Key: InChIKey=FVEWABDTCRXLJS-OGICNVKRSA-N

Data: 6 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 6 hits for monomerid = 50001192   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50001192 (CHEMBL2112568) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C35H32N2O3/c38-28-14-13-24-17-29-35(39)19-26-25(22-7-3-1-4-8-22)18-27(23-9-5-2-6-10-23)36-31(26)33-34(35,30(24)32(28)40-33)15-16-37(29)20-21-11-12-21/h1-10,13-14,18,21,29,33,38-39H,11-12,15-17,19-20H2/t29-,33+,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50001192 (CHEMBL2112568) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C35H32N2O3/c38-28-14-13-24-17-29-35(39)19-26-25(22-7-3-1-4-8-22)18-27(23-9-5-2-6-10-23)36-31(26)33-34(35,30(24)32(28)40-33)15-16-37(29)20-21-11-12-21/h1-10,13-14,18,21,29,33,38-39H,11-12,15-17,19-20H2/t29-,33+,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor delta 1 was determined by inhibition of binding of [3H]DADLE (1.3-2.0 nM) to rat brain membranes				J Med Chem 42: 3527-38 (1999) Article DOI: 10.1021/jm990039i BindingDB Entry DOI: 10.7270/Q2QR4XSQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001192 (CHEMBL2112568) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C35H32N2O3/c38-28-14-13-24-17-29-35(39)19-26-25(22-7-3-1-4-8-22)18-27(23-9-5-2-6-10-23)36-31(26)33-34(35,30(24)32(28)40-33)15-16-37(29)20-21-11-12-21/h1-10,13-14,18,21,29,33,38-39H,11-12,15-17,19-20H2/t29-,33+,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001192 (CHEMBL2112568) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C35H32N2O3/c38-28-14-13-24-17-29-35(39)19-26-25(22-7-3-1-4-8-22)18-27(23-9-5-2-6-10-23)36-31(26)33-34(35,30(24)32(28)40-33)15-16-37(29)20-21-11-12-21/h1-10,13-14,18,21,29,33,38-39H,11-12,15-17,19-20H2/t29-,33+,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	652	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1 was determined by inhibition of binding of [3H]DAMGO (1.4-3 nM) to rat brain membranes				J Med Chem 42: 3527-38 (1999) Article DOI: 10.1021/jm990039i BindingDB Entry DOI: 10.7270/Q2QR4XSQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001192 (CHEMBL2112568) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C35H32N2O3/c38-28-14-13-24-17-29-35(39)19-26-25(22-7-3-1-4-8-22)18-27(23-9-5-2-6-10-23)36-31(26)33-34(35,30(24)32(28)40-33)15-16-37(29)20-21-11-12-21/h1-10,13-14,18,21,29,33,38-39H,11-12,15-17,19-20H2/t29-,33+,34+,35-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor kappa 1 was determined by inhibition of binding of [3H]U-69593 (1.2-2.2 nM) to guinea pig brain membranes				J Med Chem 42: 3527-38 (1999) Article DOI: 10.1021/jm990039i BindingDB Entry DOI: 10.7270/Q2QR4XSQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001192 (CHEMBL2112568) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(cc(nc21)-c1ccccc1)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C35H32N2O3/c38-28-14-13-24-17-29-35(39)19-26-25(22-7-3-1-4-8-22)18-27(23-9-5-2-6-10-23)36-31(26)33-34(35,30(24)32(28)40-33)15-16-37(29)20-21-11-12-21/h1-10,13-14,18,21,29,33,38-39H,11-12,15-17,19-20H2/t29-,33+,34+,35-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair