BDBM39051 4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine::4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine::MLS000100816::SMR000017482::cid_3702591

SMILES: Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1

InChI Key: InChIKey=XJIJEUCZMMGFGF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 39051   

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
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM39051 (4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...) Show SMILES Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1 Show InChI InChI=1S/C17H18ClN5/c18-13-5-7-14(8-6-13)23-17-15(11-21-23)16(19-12-20-17)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM39051 (4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...) Show SMILES Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1 Show InChI InChI=1S/C17H18ClN5/c18-13-5-7-14(8-6-13)23-17-15(11-21-23)16(19-12-20-17)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM39051 (4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...) Show SMILES Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1 Show InChI InChI=1S/C17H18ClN5/c18-13-5-7-14(8-6-13)23-17-15(11-21-23)16(19-12-20-17)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	846	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM39051 (4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...) Show SMILES Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1 Show InChI InChI=1S/C17H18ClN5/c18-13-5-7-14(8-6-13)23-17-15(11-21-23)16(19-12-20-17)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>407	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair