BDBM50545656 CHEMBL4645952

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)c(F)c1)OCCCc1ccccc1)ccc3O

InChI Key: InChIKey=CWIQIMJDMAGVQL-RJKGWOMYSA-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 = 50545656   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50545656 (CHEMBL4645952) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)c(F)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C38H36F2N2O3/c39-29-12-10-25(18-30(29)40)28-17-27-20-38(44-16-4-7-23-5-2-1-3-6-23)32-19-26-11-13-31(43)35-33(26)37(38,36(45-35)34(27)41-21-28)14-15-42(32)22-24-8-9-24/h1-3,5-6,10-13,17-18,21,24,32,36,43H,4,7-9,14-16,19-20,22H2/t32-,36+,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...				J Med Chem 63: 7663-7694 (2020)
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50545656 (CHEMBL4645952) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)c(F)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C38H36F2N2O3/c39-29-12-10-25(18-30(29)40)28-17-27-20-38(44-16-4-7-23-5-2-1-3-6-23)32-19-26-11-13-31(43)35-33(26)37(38,36(45-35)34(27)41-21-28)14-15-42(32)22-24-8-9-24/h1-3,5-6,10-13,17-18,21,24,32,36,43H,4,7-9,14-16,19-20,22H2/t32-,36+,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...				J Med Chem 63: 7663-7694 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545656 (CHEMBL4645952) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)c(F)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C38H36F2N2O3/c39-29-12-10-25(18-30(29)40)28-17-27-20-38(44-16-4-7-23-5-2-1-3-6-23)32-19-26-11-13-31(43)35-33(26)37(38,36(45-35)34(27)41-21-28)14-15-42(32)22-24-8-9-24/h1-3,5-6,10-13,17-18,21,24,32,36,43H,4,7-9,14-16,19-20,22H2/t32-,36+,37+,38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...				J Med Chem 63: 7663-7694 (2020)
					More data for this Ligand-Target Pair