BDBM260658 US9533985, 46

SMILES: COc1cc2c(cn1)n(C)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc1)c2=O

InChI Key: InChIKey=SKOXRBVQVPASFS-MHZLTWQESA-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 = 260658   

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))	BDBM260658 (US9533985, 46) Show SMILES COc1cc2c(cn1)n(C)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc1)c2=O |r| Show InChI InChI=1S/C35H27F2N7O8S/c1-43-28-18-40-29(52-2)17-24(28)33(46)44(35(43)49)22-8-4-19(5-9-22)14-27(34(47)48)41-32(45)30-25(36)15-21(16-26(30)37)42-53(50,51)23-10-6-20(7-11-23)31-38-12-3-13-39-31/h3-13,15-18,27,42H,14H2,1-2H3,(H,41,45)(H,47,48)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM260658 (US9533985, 46) Show SMILES COc1cc2c(cn1)n(C)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc1)c2=O |r| Show InChI InChI=1S/C35H27F2N7O8S/c1-43-28-18-40-29(52-2)17-24(28)33(46)44(35(43)49)22-8-4-19(5-9-22)14-27(34(47)48)41-32(45)30-25(36)15-21(16-26(30)37)42-53(50,51)23-10-6-20(7-11-23)31-38-12-3-13-39-31/h3-13,15-18,27,42H,14H2,1-2H3,(H,41,45)(H,47,48)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM260658 (US9533985, 46) Show SMILES COc1cc2c(cn1)n(C)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc1)c2=O |r| Show InChI InChI=1S/C35H27F2N7O8S/c1-43-28-18-40-29(52-2)17-24(28)33(46)44(35(43)49)22-8-4-19(5-9-22)14-27(34(47)48)41-32(45)30-25(36)15-21(16-26(30)37)42-53(50,51)23-10-6-20(7-11-23)31-38-12-3-13-39-31/h3-13,15-18,27,42H,14H2,1-2H3,(H,41,45)(H,47,48)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	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