BDBM50505789 CHEMBL4471621

SMILES: COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=VPDBRKAZMIEIGB-FQEVSTJZSA-N

Data: 5 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 5 hits for monomerid = 50505789   

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
Luteinizing hormone/Choriogonadotropin receptor (Rattus norvegicus)	BDBM50505789 (CHEMBL4471621) Show SMILES COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at rat luteinizing hormone receptor expressed in rat ovary granulosa GLHR15 cell suspension assessed as reduction in agonist-indu...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382
					More data for this Ligand-Target Pair
Cytochrome P450 2C11 (Rattus norvegicus)	BDBM50505789 (CHEMBL4471621) Show SMILES COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human thyroid stimulating hormone receptor expressed in rat HTC133 cells assessed as reduction in agonist-induced cAMP product...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50505789 (CHEMBL4471621) Show SMILES COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human luteinizing hormone receptor assessed as reduction in agonist-induced cAMP production preincubated for 20 mins followed ...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382
					More data for this Ligand-Target Pair
Follicle stimulating hormone receptor (Homo sapiens (Human))	BDBM50505789 (CHEMBL4471621) Show SMILES COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human follicle stimulating hormone receptor assessed as reduction in agonist-induced cAMP production preincubated for 20 mins ...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Mus musculus)	BDBM50505789 (CHEMBL4471621) Show SMILES COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at luteinizing hormone receptor in mouse MLTC-1 cells assessed as reduction in agonist-induced cAMP production preincubated for 3...				J Med Chem 62: 10321-10341 (2019) Article DOI: 10.1021/acs.jmedchem.9b01382
					More data for this Ligand-Target Pair