BDBM62199 (phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]carbamate::MLS-0425700.0001::N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]carbamic acid (phenylmethyl) ester::N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]carbamic acid benzyl ester::benzyl N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]carbamate::cid_4594209

SMILES: ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1

InChI Key: InChIKey=KDVUKPVQKAFBHT-UHFFFAOYSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 62199   

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))	BDBM62199 ((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...) Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1 Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+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/Q2H70D7S
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM62199 ((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...) Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1 Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)	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	>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/Q2G44NRK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM62199 ((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...) Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1 Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.76E+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 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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM62199 ((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...) Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1 Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM62199 ((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...) Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1 Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)	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))	BDBM62199 ((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...) Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1 Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM62199 ((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...) Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1 Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)	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