null

SMILES: NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O

InChI Key: InChIKey=PTCMVGOQRMWOTP-MVBWARRXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 472699   

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-V/beta-1 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description The blockade of integrin alpha 5 beta 1 provides a novel target for the treatment of asthma. As shown in FIGS. 1A and 1B, delivery of ATN-161, a low ...				US Patent US10836720 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1Q0B
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alphavbeta3 integrin (unknown origin) expressed in human SW480 cells transfected with human beta3 assessed as inhibition of cell adhesi...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha4beta1 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alphavbeta3 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alphavbeta5 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alphavbeta6 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-1 (Homo sapiens (Human))	BDBM472699 (US10836720, HIJ-1483) Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alphavbeta1 integrin (unknown origin) by solid phase binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127578 BindingDB Entry DOI: 10.7270/Q25Q50R5
					More data for this Ligand-Target Pair