Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50012024   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50553299 (CHEMBL4790404) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553304 (CHEMBL4748743) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553297 (CHEMBL4747234) Show SMILES Cc1ccccc1N1C(=O)\C(S\C1=N/CCCF)=C\c1ccc(O)c(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553300 (CHEMBL4796729) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(c2)C(F)(F)F)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553289 (CHEMBL4763318) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCOCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50316771 ((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-propyli...) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C Show InChI InChI=1S/C20H19ClN2O2S/c1-3-10-22-20-23(16-7-5-4-6-13(16)2)19(25)18(26-20)12-14-8-9-17(24)15(21)11-14/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-,22-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553294 (CHEMBL4759157) Show SMILES Cc1ccccc1N1C(=O)\C(S\C1=N/C1COC1)=C\c1ccc(O)c(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553287 (CHEMBL4745979) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553303 (CHEMBL4748038) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553302 (CHEMBL4751870) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)cn2)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553288 (CHEMBL4755800) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C(C)C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553295 (CHEMBL4758919) Show SMILES Cc1ccccc1N1C(=O)\C(S\C1=N/C1CC(F)(F)C1)=C\c1ccc(O)c(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553290 (CHEMBL4740803) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCS(=O)(=O)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553293 (CHEMBL4757599) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553296 (CHEMBL4789340) Show SMILES COCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553292 (CHEMBL4760357) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50553304 (CHEMBL4748743) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity in human S1PR3 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553305 (CHEMBL4744825) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(c2)C(C)C)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553301 (CHEMBL4757038) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(c2)C#N)C(=O)N1c1ccccc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553291 (CHEMBL4743676) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCN(C)C(=O)C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50553298 (CHEMBL4793543) Show SMILES Cc1ccccc1N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\CCO Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50553306 (CHEMBL4764124) Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity in human S1PR3 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50553306 (CHEMBL4764124) Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity in human S1PR4 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50553304 (CHEMBL4748743) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity in human S1PR4 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50553306 (CHEMBL4764124) Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR2 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50553304 (CHEMBL4748743) Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Immunomodulatory activity at human S1PR2 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.8b00616 BindingDB Entry DOI: 10.7270/Q20868ZH
					More data for this Ligand-Target Pair