BDBM36851 MLS000072751::N-(5-Benzotriazol-1-ylmethyl-[1,3,4]thiadiazol-2-yl)-4-tert-butyl-N-ethyl-benzamide::N-[5-(1-benzotriazolylmethyl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-N-ethylbenzamide::N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-N-ethyl-benzamide::N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-N-ethylbenzamide::SMR000004710::cid_649706

SMILES: CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1

InChI Key: InChIKey=NEVNMBCJTHZTBS-UHFFFAOYSA-N

Data: 8 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 11 hits for monomerid = 36851   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	8.78E+3	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/Q25X2795
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+3	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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.82E+3	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/Q2ZC817P
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.25E+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/Q2TH8K3N
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.71E+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/Q2PR7TCX
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.74E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V1235Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.38E+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/Q2B56H4Q
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.04E+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/Q2319T8T
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.80E+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 (2008) BindingDB Entry DOI: 10.7270/Q2WQ027W
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.21E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZS2TWK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.54E+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/Q26Q1VNZ
					More data for this Ligand-Target Pair