BDBM236811 US9388149, 9 (Diastereoisomer 1)::US9388149, 9 (Diastereoisomer 2)

SMILES: COC(=O)CNCC(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O

InChI Key: InChIKey=SGLBQNTUAMMYTP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 236811   

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
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))	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 UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	153	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 UniProtKB/TrEMBL 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 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	580	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