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SMILES: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1

InChI Key: InChIKey=JVYMSPPKDODTNF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 438765   

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
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438765 (US10618914, Compound 2b | US11111253, Compound 2b) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...				US Patent US10618914 (2020) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM438765 (US10618914, Compound 2b | US11111253, Compound 2b) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...				US Patent US10618914 (2020) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM438765 (US10618914, Compound 2b | US11111253, Compound 2b) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, FIRMS)...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WS8XCR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM438765 (US10618914, Compound 2b | US11111253, Compound 2b) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, FIRMS)...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WS8XCR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438765 (US10618914, Compound 2b | US11111253, Compound 2b) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, FIRMS)...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WS8XCR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438765 (US10618914, Compound 2b | US11111253, Compound 2b) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, FIRMS)...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WS8XCR
					More data for this Ligand-Target Pair