Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 1' and Ligand = 'BDBM385546'   

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-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM385546 (US10287278, Example 16 | US10287278, Example 17 | ...) Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/m1/s1	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	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description To evaluate the direct interaction of the CXCR2 or CXCR1 receptor with β-arrestin 2, a test of β-arrestin 2 recruitment for CXCR2 or CXCR1 ...				US Patent US10647706 (2020) BindingDB Entry DOI: 10.7270/Q27H1NM8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM385546 (US10287278, Example 16 | US10287278, Example 17 | ...) Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/m1/s1	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	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description To evaluate the direct interaction of the CXCR2 or CXCR1 receptor with β-arrestin 2, a test of β-arrestin 2 recruitment for CXCR2 or CXCR1 ...				US Patent US10647706 (2020) BindingDB Entry DOI: 10.7270/Q27H1NM8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM385546 (US10287278, Example 16 | US10287278, Example 17 | ...) Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/m1/s1	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	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description To evaluate the direct interaction of the CXCR2 or CXCR1 receptor with β-arrestin 2, a test of β-arrestin 2 recruitment for CXCR2 or CXCR1 ...				US Patent US10647706 (2020) BindingDB Entry DOI: 10.7270/Q27H1NM8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM385546 (US10287278, Example 16 | US10287278, Example 17 | ...) Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors is determined on a functional test of β-arrest...				Bioorg Med Chem 16: 7424-8 (2008) BindingDB Entry DOI: 10.7270/Q2028TWX
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM385546 (US10287278, Example 16 | US10287278, Example 17 | ...) Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors is determined on a functional test of β-arrest...				Bioorg Med Chem 16: 7424-8 (2008) BindingDB Entry DOI: 10.7270/Q2028TWX
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM385546 (US10287278, Example 16 | US10287278, Example 17 | ...) Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors is determined on a functional test of β-arrest...				Bioorg Med Chem 16: 7424-8 (2008) BindingDB Entry DOI: 10.7270/Q2028TWX
					More data for this Ligand-Target Pair