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SMILES: Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1cncnc1

InChI Key: InChIKey=QIUGDRUGWFFHGP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 107212   

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
Kininogen-1 (Homo sapiens (Human))	BDBM107212 (US8592426, 63) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1cncnc1 Show InChI InChI=1S/C25H20ClFN8O2S/c1-35-33-22(32-34-35)21-17(7-15(26)8-18(21)27)13-2-3-16-19(11-38-20(16)6-13)30-24(37)25(4-5-25)31-23(36)14-9-28-12-29-10-14/h2-3,6-10,12,19H,4-5,11H2,1H3,(H,30,37)(H,31,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann—La Roche Inc. US Patent					Assay Description Binding assay using Bradykinin-1 receptor.				US Patent US8592426 (2013) BindingDB Entry DOI: 10.7270/Q2WH2NN0
					More data for this Ligand-Target Pair
Kininogen-1 (Homo sapiens (Human))	BDBM107212 (US8592426, 63) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1cncnc1 Show InChI InChI=1S/C25H20ClFN8O2S/c1-35-33-22(32-34-35)21-17(7-15(26)8-18(21)27)13-2-3-16-19(11-38-20(16)6-13)30-24(37)25(4-5-25)31-23(36)14-9-28-12-29-10-14/h2-3,6-10,12,19H,4-5,11H2,1H3,(H,30,37)(H,31,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann—La Roche Inc. US Patent					Assay Description Calcium mobilization assay using Bradykinin-1 receptor.				US Patent US8592426 (2013) BindingDB Entry DOI: 10.7270/Q2WH2NN0
					More data for this Ligand-Target Pair