BDBM50002043 CHEMBL425735

SMILES: CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=C

InChI Key: InChIKey=FXXYFMCSKFAZQV-UHFFFAOYSA-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 = 50002043   

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 (Rattus norvegicus (rat))	BDBM50002043 (CHEMBL425735) Show SMILES CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=C |THB:4:3:18:14.15.16,0:1:18:14.15.16| Show InChI InChI=1S/C29H40N4O2/c1-21-20-33(15-7-10-23-8-4-3-5-9-23)26-17-25(32-28(35)13-14-31-22(2)30)18-29(21,19-26)24-11-6-12-27(34)16-24/h3-6,8-9,11-12,16,21,25-26,31,34H,2,7,10,13-15,17-20,30H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50002043 (CHEMBL425735) Show SMILES CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=C |THB:4:3:18:14.15.16,0:1:18:14.15.16| Show InChI InChI=1S/C29H40N4O2/c1-21-20-33(15-7-10-23-8-4-3-5-9-23)26-17-25(32-28(35)13-14-31-22(2)30)18-29(21,19-26)24-11-6-12-27(34)16-24/h3-6,8-9,11-12,16,21,25-26,31,34H,2,7,10,13-15,17-20,30H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50002043 (CHEMBL425735) Show SMILES CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=C |THB:4:3:18:14.15.16,0:1:18:14.15.16| Show InChI InChI=1S/C29H40N4O2/c1-21-20-33(15-7-10-23-8-4-3-5-9-23)26-17-25(32-28(35)13-14-31-22(2)30)18-29(21,19-26)24-11-6-12-27(34)16-24/h3-6,8-9,11-12,16,21,25-26,31,34H,2,7,10,13-15,17-20,30H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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