BDBM260677 US9533985, 65

SMILES: Cc1cnccc1-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1

InChI Key: InChIKey=IVFXLUZQXMJCNS-PMERELPUSA-N

Data: 3 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 3 hits for monomerid = 260677   

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/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260677 (US9533985, 65) Show SMILES Cc1cnccc1-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C36H28F2N6O7S/c1-20-18-39-13-11-26(20)22-5-9-25(10-6-22)52(50,51)42-23-16-28(37)32(29(38)17-23)33(45)41-30(35(47)48)15-21-3-7-24(8-4-21)44-34(46)27-12-14-40-19-31(27)43(2)36(44)49/h3-14,16-19,30,42H,15H2,1-2H3,(H,41,45)(H,47,48)/t30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	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
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260677 (US9533985, 65) Show SMILES Cc1cnccc1-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C36H28F2N6O7S/c1-20-18-39-13-11-26(20)22-5-9-25(10-6-22)52(50,51)42-23-16-28(37)32(29(38)17-23)33(45)41-30(35(47)48)15-21-3-7-24(8-4-21)44-34(46)27-12-14-40-19-31(27)43(2)36(44)49/h3-14,16-19,30,42H,15H2,1-2H3,(H,41,45)(H,47,48)/t30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	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
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260677 (US9533985, 65) Show SMILES Cc1cnccc1-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C36H28F2N6O7S/c1-20-18-39-13-11-26(20)22-5-9-25(10-6-22)52(50,51)42-23-16-28(37)32(29(38)17-23)33(45)41-30(35(47)48)15-21-3-7-24(8-4-21)44-34(46)27-12-14-40-19-31(27)43(2)36(44)49/h3-14,16-19,30,42H,15H2,1-2H3,(H,41,45)(H,47,48)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	420	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