BDBM50366387 STREPTOMYCIN

SMILES: [#6]-[#7]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#6]-[#8])-[#8]-[#6@H]-1-[#8]-[#6@H]1-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](/[#7])-[#7])-[#8]-[#6@@H](-[#6])[C@]1([#8])[#6]=O

InChI Key: InChIKey=UCSJYZPVAKXKNQ-ZCTIVXDHSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50366387   

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
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50366387 (STREPTOMYCIN) Show SMILES [#6]-[#7]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#6]-[#8])-[#8]-[#6@H]-1-[#8]-[#6@H]1-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](/[#7])-[#7])-[#8]-[#6@@H](-[#6])[C@]1([#8])[#6]=O Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50366387 (STREPTOMYCIN) Show SMILES [#6]-[#7]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#6]-[#8])-[#8]-[#6@H]-1-[#8]-[#6@H]1-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](/[#7])-[#7])-[#8]-[#6@@H](-[#6])[C@]1([#8])[#6]=O Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]RT155 to Serotonin transporter in HEK cells				Hepatology 60: 1015-22 (2014) Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2
					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50366387 (STREPTOMYCIN) Show SMILES [#6]-[#7]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#6]-[#8])-[#8]-[#6@H]-1-[#8]-[#6@H]1-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](/[#7])-[#7])-[#8]-[#6@@H](-[#6])[C@]1([#8])[#6]=O Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 by ABPP-based assay				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair