BDBM50127355 (R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid phenylamide::CHEMBL289320

SMILES: CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1

InChI Key: InChIKey=RRXSUVGMGXNSHH-RPWUZVMVSA-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 = 50127355   

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))	BDBM50127355 ((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...) Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H38N6O2S/c1-28(2,3)32-25(35)29-18-24-16-20-10-7-8-11-21(20)19-34(24)27(37)30-17-23-14-9-15-33(23)26(36)31-22-12-5-4-6-13-22/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,37)(H,31,36)(H2,29,32,35)/t23-,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor				Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50127355 ((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...) Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H38N6O2S/c1-28(2,3)32-25(35)29-18-24-16-20-10-7-8-11-21(20)19-34(24)27(37)30-17-23-14-9-15-33(23)26(36)31-22-12-5-4-6-13-22/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,37)(H,31,36)(H2,29,32,35)/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptor				Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50127355 ((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...) Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H38N6O2S/c1-28(2,3)32-25(35)29-18-24-16-20-10-7-8-11-21(20)19-34(24)27(37)30-17-23-14-9-15-33(23)26(36)31-22-12-5-4-6-13-22/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,37)(H,31,36)(H2,29,32,35)/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor				Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838
					More data for this Ligand-Target Pair