BDBM50157606 CHEMBL3785432

SMILES: CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1

InChI Key: InChIKey=XVECNLUKQDKOST-UHFFFAOYSA-N

Data: 5 IC50  2 Kd

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 = 50157606   

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
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50157606 (CHEMBL3785432) Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to CERC2 (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50157606 (CHEMBL3785432) Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to CERC2 (unknown origin) by alphascreen assay				J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H
					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50157606 (CHEMBL3785432) Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to CECR2 (unknown origin) by ITC analysis				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021
					More data for this Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF (Homo sapiens (Human))	BDBM50157606 (CHEMBL3785432) Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL									Medchemcomm 7: 2246-2264 (2016)
					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50157606 (CHEMBL3785432) Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL									Medchemcomm 7: 2246-2264 (2016)
					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50157606 (CHEMBL3785432) Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL									Medchemcomm 7: 2246-2264 (2016)
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50157606 (CHEMBL3785432) Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL									Medchemcomm 7: 2246-2264 (2016)
					More data for this Ligand-Target Pair