BDBM54805 (phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]carbamate::MLS000561692::N-[2,2,2-trichloro-1-[(2,6-dichlorophenyl)thiocarbamoylamino]ethyl]carbamic acid benzyl ester::N-[2,2,2-trichloro-1-[[(2,6-dichloroanilino)-sulfanylidenemethyl]amino]ethyl]carbamic acid (phenylmethyl) ester::SMR000173875::benzyl N-[2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]carbamate::cid_3091265::{2,2,2-Trichloro-1-[3-(2,6-dichloro-phenyl)-thioureido]-ethyl}-carbamic acid benzyl ester

SMILES: Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl

InChI Key: InChIKey=RETLJHJSLJBNPL-UHFFFAOYSA-N

Data: 6 IC50  4 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 10 hits for monomerid = 54805   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2765CR5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20C4T6J
					More data for this Ligand-Target Pair
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G44NRK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2H70D7S
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NS0SBF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q28K77JP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24T6GTZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2125R3Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54805 ((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...) Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25T3HZB
					More data for this Ligand-Target Pair