BDBM260686 US9533985, 74

SMILES: Cc1cc(ccn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3ncn(C)c3c2=O)C(O)=O)c(F)c1

InChI Key: InChIKey=UNPABXBAJICLTA-NDEPHWFRSA-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 = 260686   

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))	BDBM260686 (US9533985, 74) Show SMILES Cc1cc(ccn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3ncn(C)c3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C35H29F2N7O7S/c1-19-14-22(12-13-38-19)21-6-10-25(11-7-21)52(50,51)41-23-16-26(36)29(27(37)17-23)32(45)40-28(34(47)48)15-20-4-8-24(9-5-20)44-33(46)30-31(39-18-42(30)2)43(3)35(44)49/h4-14,16-18,28,41H,15H2,1-3H3,(H,40,45)(H,47,48)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	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))	BDBM260686 (US9533985, 74) Show SMILES Cc1cc(ccn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3ncn(C)c3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C35H29F2N7O7S/c1-19-14-22(12-13-38-19)21-6-10-25(11-7-21)52(50,51)41-23-16-26(36)29(27(37)17-23)32(45)40-28(34(47)48)15-20-4-8-24(9-5-20)44-33(46)30-31(39-18-42(30)2)43(3)35(44)49/h4-14,16-18,28,41H,15H2,1-3H3,(H,40,45)(H,47,48)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM260686 (US9533985, 74) Show SMILES Cc1cc(ccn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3ncn(C)c3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C35H29F2N7O7S/c1-19-14-22(12-13-38-19)21-6-10-25(11-7-21)52(50,51)41-23-16-26(36)29(27(37)17-23)32(45)40-28(34(47)48)15-20-4-8-24(9-5-20)44-33(46)30-31(39-18-42(30)2)43(3)35(44)49/h4-14,16-18,28,41H,15H2,1-3H3,(H,40,45)(H,47,48)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	520	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