BDBM260675 US9533985, 63

SMILES: Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O

InChI Key: InChIKey=GGUXLECBDJKACP-DEOSSOPVSA-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 = 260675   

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))	BDBM260675 (US9533985, 63) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C30H23F2N7O7S/c1-38-9-8-26(40)39(30(38)44)21-5-2-17(3-6-21)10-24(29(42)43)36-28(41)27-22(31)11-20(12-23(27)32)37-47(45,46)25-7-4-18(15-35-25)19-13-33-16-34-14-19/h2-9,11-16,24,37H,10H2,1H3,(H,36,41)(H,42,43)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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))	BDBM260675 (US9533985, 63) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C30H23F2N7O7S/c1-38-9-8-26(40)39(30(38)44)21-5-2-17(3-6-21)10-24(29(42)43)36-28(41)27-22(31)11-20(12-23(27)32)37-47(45,46)25-7-4-18(15-35-25)19-13-33-16-34-14-19/h2-9,11-16,24,37H,10H2,1H3,(H,36,41)(H,42,43)/t24-/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))	BDBM260675 (US9533985, 63) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C30H23F2N7O7S/c1-38-9-8-26(40)39(30(38)44)21-5-2-17(3-6-21)10-24(29(42)43)36-28(41)27-22(31)11-20(12-23(27)32)37-47(45,46)25-7-4-18(15-35-25)19-13-33-16-34-14-19/h2-9,11-16,24,37H,10H2,1H3,(H,36,41)(H,42,43)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	480	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