null

SMILES: CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12

InChI Key: InChIKey=QTRXSBUIHCYTDW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 329368   

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 2 (Homo sapiens (Human))	BDBM329368 (US9663511, Compound 1. | US9663511, Compound 27.) Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12 Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Arroyo BioSciences, LLC US Patent					Assay Description I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...				US Patent US9663511 (2017) BindingDB Entry DOI: 10.7270/Q2930W97
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM329368 (US9663511, Compound 1. | US9663511, Compound 27.) Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12 Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Arroyo BioSciences, LLC US Patent					Assay Description I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...				US Patent US9663511 (2017) BindingDB Entry DOI: 10.7270/Q2930W97
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM329368 (US9663511, Compound 1. | US9663511, Compound 27.) Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12 Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Arroyo BioSciences, LLC US Patent					Assay Description I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...				US Patent US9663511 (2017) BindingDB Entry DOI: 10.7270/Q2930W97
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM329368 (US9663511, Compound 1. | US9663511, Compound 27.) Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12 Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Arroyo BioSciences, LLC US Patent					Assay Description I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...				US Patent US9663511 (2017) BindingDB Entry DOI: 10.7270/Q2930W97
					More data for this Ligand-Target Pair