BDBM50532534 CHEMBL4469843

SMILES: CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O

InChI Key: InChIKey=IJBKIJSFUIRJKW-PTCKQWLISA-N

Data: 2 IC50  4 EC50

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 6 hits for monomerid = 50532534   

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 1 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in HEK293T cell co-expressing G-alpha15-BLA measured after 45 mins by [35S]GTP-gammaS binding assay				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in HEK293T cell co-expressing G-alpha15-BLA measured after 45 mins by [35S]GTP-gammaS binding assay				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373
					More data for this Ligand-Target Pair