null

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)C(=O)N2CCN(C)CC2)C(O)=O)cc1

InChI Key: InChIKey=NVHYHKRZUDLBBQ-WXVAWEFUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50113570   

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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50113570 ((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[(R)-2-(4-meth...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)C(=O)N2CCN(C)CC2)C(O)=O)cc1 Show InChI InChI=1S/C27H33N3O6/c1-29-13-15-30(16-14-29)26(34)27(12-5-17-36-27)25(33)28-22(24(31)32)18-19-8-10-20(11-9-19)21-6-3-4-7-23(21)35-2/h3-4,6-11,22H,5,12-18H2,1-2H3,(H,28,33)(H,31,32)/t22-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50113570 ((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[(R)-2-(4-meth...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)C(=O)N2CCN(C)CC2)C(O)=O)cc1 Show InChI InChI=1S/C27H33N3O6/c1-29-13-15-30(16-14-29)26(34)27(12-5-17-36-27)25(33)28-22(24(31)32)18-19-8-10-20(11-9-19)21-6-3-4-7-23(21)35-2/h3-4,6-11,22H,5,12-18H2,1-2H3,(H,28,33)(H,31,32)/t22-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50113570 ((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[(R)-2-(4-meth...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)C(=O)N2CCN(C)CC2)C(O)=O)cc1 Show InChI InChI=1S/C27H33N3O6/c1-29-13-15-30(16-14-29)26(34)27(12-5-17-36-27)25(33)28-22(24(31)32)18-19-8-10-20(11-9-19)21-6-3-4-7-23(21)35-2/h3-4,6-11,22H,5,12-18H2,1-2H3,(H,28,33)(H,31,32)/t22-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair