BDBM50520683 CHEMBL4476621

SMILES: Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FNTHJTUPRVAXFZ-UHFFFAOYSA-N

Data: 21 IC50

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 21 hits for monomerid = 50520683   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor after 60 mins by scintillation counting analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli using 3-phosphoglycerate as substrate				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant Arg1 using L-arginine as substrate after 5 mins in presence of [guanidino-14C]-L-arginine by liquid scintillation cou...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenyl acetate as substrate after 20 mins by spectrophotometric analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Displacement of [3H]muscimol from recombinant human GABAalpha1beta2gamma2 measured after 120 mins by scintillation counting method				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant Lck using Ulight-Poly GAT[EAY(1:1:1)]n as substrate after 10 mins by LANCE analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human MAGL				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human MAOA using kynuramine as substrate after 20 mins by spectrophotometric analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE3A using [3H]cAMP after 20 mins by scintillation counting analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG after 60 mins by scintillation counting analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Displacement of [3H]WY 14643 from human recombinant PPARalpha receptor at 10 uM after 120 mins by scintillation counting analysis relative to control				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant ACE using Abz-FRK(Dnp)-P-OH as substrate after 30 mins by fluorimetric analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human IDO using L-tryptophan as substrate after 30 mins by Ehrlich's reagent based assay				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase using acetylthiocholine as substrate after 30 mins by spectrophotometric analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX1 using arachidonic acid as substrate after 3 mins by fluorimetric analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Displacement of [125I]pirenzepine from human recombinant M1 receptor after 60 mins by scintillation counting analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Secretory phospholipase A2 (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human sPLA2				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.103	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human thrombin using Z-GPR-AMC as substrate after 30 mins by fluorimetric analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human recombinant CB1 receptor after 120 mins by scintillation counting analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length LDHA using sodium pyruvate as substrate after 60 mins by resazurin dye-based assay				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair