Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'boiteaux' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172369 (US9090596, 50) Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C23H25N3O6/c1-12-8-9-15(32-12)21(23(2)10-31-11-23)25-17-16(19(28)20(17)29)24-14-7-5-6-13(18(14)27)22(30)26(3)4/h5-9,21,24-25,27H,10-11H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172372 (US9090596, 53) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C25H29ClN4O7S/c1-14-4-7-17(37-14)24(25(2)12-36-13-25)28-19-18(21(32)22(19)33)27-16-6-5-15(26)23(20(16)31)38(34,35)30-10-8-29(3)9-11-30/h4-7,24,27-28,31H,8-13H2,1-3H3/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172342 (US9090596, 22) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172328 (US9090596, 8) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C27H29N3O8/c1-14-9-10-18(38-14)24(27(2)12-37-13-27)29-20-19(22(32)23(20)33)28-16-7-4-6-15(21(16)31)25(34)30-11-5-8-17(30)26(35)36-3/h4,6-7,9-10,17,24,28-29,31H,5,8,11-13H2,1-3H3/t17-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236795 (US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236787 (US9388149, 18 | US9580412, Example 18) Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23| Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236813 (US9388149, 10 (Diastereoisomer 1) | US9388149, 10 ...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C22H24ClN3O6S2/c1-11-6-9-14(32-11)16(15-5-4-10-33-15)25-18-17(20(28)21(18)29)24-13-8-7-12(23)22(19(13)27)34(30,31)26(2)3/h6-9,15-16,24-25,27H,4-5,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236791 (US9388149, 22 | US9580412, Example 22) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |w:20.21| Show InChI InChI=1S/C25H29ClN4O6S2/c1-14-5-8-17(36-14)19(18-4-3-13-37-18)28-21-20(23(32)24(21)33)27-16-7-6-15(26)25(22(16)31)38(34,35)30-11-9-29(2)10-12-30/h5-8,18-19,27-28,31H,3-4,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236788 (US9388149, 19 | US9580412, Example 19) Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23| Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236813 (US9388149, 10 (Diastereoisomer 1) | US9388149, 10 ...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C22H24ClN3O6S2/c1-11-6-9-14(32-11)16(15-5-4-10-33-15)25-18-17(20(28)21(18)29)24-13-8-7-12(23)22(19(13)27)34(30,31)26(2)3/h6-9,15-16,24-25,27H,4-5,10H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236789 (US9388149, 20 | US9580412, Example 20) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:21.21| Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236785 (US9388149, 16 | US9580412, Example 16) Show SMILES Cc1ccc(o1)C(Nc1c(Nc2cccnc2O)c(=O)c1=O)C1CCCS1 |w:6.24| Show InChI InChI=1S/C19H19N3O4S/c1-10-6-7-12(26-10)14(13-5-3-9-27-13)22-16-15(17(23)18(16)24)21-11-4-2-8-20-19(11)25/h2,4,6-8,13-14,21-22H,3,5,9H2,1H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172358 (US9090596, 38) Show SMILES CC(C)c1coc(c1)C(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)COC1 Show InChI InChI=1S/C25H29N3O6/c1-13(2)14-9-17(34-10-14)23(25(3)11-33-12-25)27-19-18(21(30)22(19)31)26-16-8-6-7-15(20(16)29)24(32)28(4)5/h6-10,13,23,26-27,29H,11-12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172368 (US9090596, 48) Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C24H24F3N3O6/c1-12-7-8-15(36-12)21(23(2)10-35-11-23)29-17-16(19(32)20(17)33)28-14-6-4-5-13(18(14)31)22(34)30(3)9-24(25,26)27/h4-8,21,28-29,31H,9-11H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172372 (US9090596, 53) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C25H29ClN4O7S/c1-14-4-7-17(37-14)24(25(2)12-36-13-25)28-19-18(21(32)22(19)33)27-16-6-5-15(26)23(20(16)31)38(34,35)30-10-8-29(3)9-11-30/h4-7,24,27-28,31H,8-13H2,1-3H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236791 (US9388149, 22 | US9580412, Example 22) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |w:20.21| Show InChI InChI=1S/C25H29ClN4O6S2/c1-14-5-8-17(36-14)19(18-4-3-13-37-18)28-21-20(23(32)24(21)33)27-16-7-6-15(26)25(22(16)31)38(34,35)30-11-9-29(2)10-12-30/h5-8,18-19,27-28,31H,3-4,9-13H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236806 (US9388149, 6 | US9388149, 7 (Diastereoisomer 1)) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172342 (US9090596, 22) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172357 (US9090596, 37a | US9090596, 37b) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3cc(C)co3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O6/c1-12-8-15(32-9-12)21(23(2)10-31-11-23)25-17-16(19(28)20(17)29)24-14-7-5-6-13(18(14)27)22(30)26(3)4/h5-9,21,24-25,27H,10-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236795 (US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236787 (US9388149, 18 | US9580412, Example 18) Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23| Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236807 (US9388149, 7 (Diastereoisomer 2)) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172328 (US9090596, 8) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C27H29N3O8/c1-14-9-10-18(38-14)24(27(2)12-37-13-27)29-20-19(22(32)23(20)33)28-16-7-4-6-15(21(16)31)25(34)30-11-5-8-17(30)26(35)36-3/h4,6-7,9-10,17,24,28-29,31H,5,8,11-13H2,1-3H3/t17-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236788 (US9388149, 19 | US9580412, Example 19) Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23| Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236789 (US9388149, 20 | US9580412, Example 20) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:21.21| Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236786 (US9388149, 17) Show SMILES CN1C=CC=C(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)C1O |w:10.10,c:2,t:4| Show InChI InChI=1S/C20H23N3O4S/c1-11-7-8-13(27-11)15(14-6-4-10-28-14)22-17-16(18(24)19(17)25)21-12-5-3-9-23(2)20(12)26/h3,5,7-9,14-15,20-22,26H,4,6,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236795 (US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236809 (US9388149, 8 (Diastereoisomer 2)) Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236792 (US9388149, 1 (Diastereoisomer 1) | US9388149, 1 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCCO3)c(=O)c2=O)c1O Show InChI InChI=1S/C24H27N3O6/c1-13-9-10-16(33-13)22(24(2)11-6-12-32-24)26-18-17(20(29)21(18)30)25-15-8-5-7-14(19(15)28)23(31)27(3)4/h5,7-10,22,25-26,28H,6,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236795 (US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172329 (US9090596, 9) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C27H29N3O8/c1-14-9-10-18(38-14)24(27(2)12-37-13-27)29-20-19(22(32)23(20)33)28-16-7-4-6-15(21(16)31)25(34)30-11-5-8-17(30)26(35)36-3/h4,6-7,9-10,17,24,28-29,31H,5,8,11-13H2,1-3H3/t17-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236790 (US9388149, 21) Show SMILES CN(C)C(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |w:16.15| Show InChI InChI=1S/C23H24ClN3O5S/c1-11-6-9-14(32-11)17(15-5-4-10-33-15)26-19-18(21(29)22(19)30)25-13-8-7-12(24)16(20(13)28)23(31)27(2)3/h6-9,15,17,25-26,28H,4-5,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172369 (US9090596, 50) Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C23H25N3O6/c1-12-8-9-15(32-12)21(23(2)10-31-11-23)25-17-16(19(28)20(17)29)24-14-7-5-6-13(18(14)27)22(30)26(3)4/h5-9,21,24-25,27H,10-11H2,1-4H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172370 (US9090596, 51) Show SMILES CCN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C24H27N3O6/c1-5-27(4)23(31)14-7-6-8-15(19(14)28)25-17-18(21(30)20(17)29)26-22(24(3)11-32-12-24)16-10-9-13(2)33-16/h6-10,22,25-26,28H,5,11-12H2,1-4H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236795 (US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236811 (US9388149, 9 (Diastereoisomer 1) | US9388149, 9 (D...) Show SMILES COC(=O)CNCC(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C25H27N3O7S/c1-13-8-9-17(35-13)20(18-7-4-10-36-18)28-22-21(24(32)25(22)33)27-15-6-3-5-14(23(15)31)16(29)11-26-12-19(30)34-2/h3,5-6,8-9,18,20,26-28,31H,4,7,10-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236781 (US9388149, 12 | US9580412, Example 12) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC([C@@H]3CCCO3)c3ccc(C)o3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C23H25N3O6/c1-12-9-10-16(32-12)17(15-8-5-11-31-15)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,15,17,24-25,27H,5,8,11H2,1-3H3/t15-,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236809 (US9388149, 8 (Diastereoisomer 2)) Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236806 (US9388149, 6 | US9388149, 7 (Diastereoisomer 1)) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236811 (US9388149, 9 (Diastereoisomer 1) | US9388149, 9 (D...) Show SMILES COC(=O)CNCC(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C25H27N3O7S/c1-13-8-9-17(35-13)20(18-7-4-10-36-18)28-22-21(24(32)25(22)33)27-15-6-3-5-14(23(15)31)16(29)11-26-12-19(30)34-2/h3,5-6,8-9,18,20,26-28,31H,4,7,10-12H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236792 (US9388149, 1 (Diastereoisomer 1) | US9388149, 1 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCCO3)c(=O)c2=O)c1O Show InChI InChI=1S/C24H27N3O6/c1-13-9-10-16(33-13)22(24(2)11-6-12-32-24)26-18-17(20(29)21(18)30)25-15-8-5-7-14(19(15)28)23(31)27(3)4/h5,7-10,22,25-26,28H,6,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236792 (US9388149, 1 (Diastereoisomer 1) | US9388149, 1 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCCO3)c(=O)c2=O)c1O Show InChI InChI=1S/C24H27N3O6/c1-13-9-10-16(33-13)22(24(2)11-6-12-32-24)26-18-17(20(29)21(18)30)25-15-8-5-7-14(19(15)28)23(31)27(3)4/h5,7-10,22,25-26,28H,6,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172345 (US9090596, 25) Show SMILES CN(C)C(=O)c1scc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H23N3O6S/c1-10-5-6-12(30-10)19(21(2)8-29-9-21)23-14-13(16(26)17(14)27)22-11-7-31-18(15(11)25)20(28)24(3)4/h5-7,19,22-23,25H,8-9H2,1-4H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172327 (US9090596, 7) Show SMILES Cc1ccc(o1)C(Nc1c(Nc2cccc(C(=O)N3CCC[C@@H]3C(=O)OC(C)(C)C)c2O)c(=O)c1=O)C1(C)COC1 |r| Show InChI InChI=1S/C30H35N3O8/c1-16-11-12-20(40-16)26(30(5)14-39-15-30)32-22-21(24(35)25(22)36)31-18-9-6-8-17(23(18)34)27(37)33-13-7-10-19(33)28(38)41-29(2,3)4/h6,8-9,11-12,19,26,31-32,34H,7,10,13-15H2,1-5H3/t19-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172332 (US9090596, 12) Show SMILES CC(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C24H26N2O6/c1-12(2)19(27)14-6-5-7-15(20(14)28)25-17-18(22(30)21(17)29)26-23(24(4)10-31-11-24)16-9-8-13(3)32-16/h5-9,12,23,25-26,28H,10-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236805 (US9388149, 5 | US9580412, Example 5) Show SMILES CCOC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F Show InChI InChI=1S/C28H30FN3O6S/c1-3-37-28(36)18-9-5-13-32(18)27(35)16-7-4-8-17(21(16)29)30-23-24(26(34)25(23)33)31-22(20-10-6-14-39-20)19-12-11-15(2)38-19/h4,7-8,11-12,18,20,22,30-31H,3,5-6,9-10,13-14H2,1-2H3/t18-,20?,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172323 (US9090596, 3) Show SMILES CCC1(COC1)C(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Show InChI InChI=1S/C24H27N3O6/c1-5-24(11-32-12-24)22(16-10-9-13(2)33-16)26-18-17(20(29)21(18)30)25-15-8-6-7-14(19(15)28)23(31)27(3)4/h6-10,22,25-26,28H,5,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM172354 (US9090596, 34) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C22H23N3O5S/c1-22(10-30-11-22)20(14-8-5-9-31-14)24-16-15(18(27)19(16)28)23-13-7-4-6-12(17(13)26)21(29)25(2)3/h4-9,20,23-24,26H,10-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM236806 (US9388149, 6 | US9388149, 7 (Diastereoisomer 1)) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236804 (US9388149, 4 | US9580412, Example 4) Show SMILES CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F Show InChI InChI=1S/C29H32FN3O6S/c1-15(2)38-29(37)19-9-5-13-33(19)28(36)17-7-4-8-18(22(17)30)31-24-25(27(35)26(24)34)32-23(21-10-6-14-40-21)20-12-11-16(3)39-20/h4,7-8,11-12,15,19,21,23,31-32H,5-6,9-10,13-14H2,1-3H3/t19-,21?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair

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