BDBM65383 BDBM260657::US9533985, 157

SMILES: Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O

InChI Key: InChIKey=JOGCJPQFIJVLJJ-VWLOTQADSA-N

Data: 4 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 4 hits for monomerid = 65383   

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
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM65383 (BDBM260657 | US9533985, 157) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H27F2N5O8S/c1-37-13-12-26(39)38(31(37)44)21-8-2-17(3-9-21)14-25(30(42)43)35-29(41)27-23(32)15-20(16-24(27)33)36-47(45,46)22-10-4-18(5-11-22)28(40)34-19-6-7-19/h2-5,8-13,15-16,19,25,36H,6-7,14H2,1H3,(H,34,40)(H,35,41)(H,42,43)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM65383 (BDBM260657 | US9533985, 157) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H27F2N5O8S/c1-37-13-12-26(39)38(31(37)44)21-8-2-17(3-9-21)14-25(30(42)43)35-29(41)27-23(32)15-20(16-24(27)33)36-47(45,46)22-10-4-18(5-11-22)28(40)34-19-6-7-19/h2-5,8-13,15-16,19,25,36H,6-7,14H2,1H3,(H,34,40)(H,35,41)(H,42,43)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (VCAM-1)/Alpha-4 Beta-1 Integrin (Homo sapiens (Human))	BDBM65383 (BDBM260657 | US9533985, 157) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H27F2N5O8S/c1-37-13-12-26(39)38(31(37)44)21-8-2-17(3-9-21)14-25(30(42)43)35-29(41)27-23(32)15-20(16-24(27)33)36-47(45,46)22-10-4-18(5-11-22)28(40)34-19-6-7-19/h2-5,8-13,15-16,19,25,36H,6-7,14H2,1H3,(H,34,40)(H,35,41)(H,42,43)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM65383 (BDBM260657 | US9533985, 157) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H27F2N5O8S/c1-37-13-12-26(39)38(31(37)44)21-8-2-17(3-9-21)14-25(30(42)43)35-29(41)27-23(32)15-20(16-24(27)33)36-47(45,46)22-10-4-18(5-11-22)28(40)34-19-6-7-19/h2-5,8-13,15-16,19,25,36H,6-7,14H2,1H3,(H,34,40)(H,35,41)(H,42,43)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair