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SMILES: CNc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1

InChI Key: InChIKey=DRBRKFQDICEJEG-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452350   

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
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452350 (US10710986, Example 488 | US11555029, No. 488) Show SMILES CNc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C36H39Cl2N9O3/c1-21(48)47-19-36(20-47)17-46(18-36)16-30-34(39-2)44-27(14-42-30)25-8-4-6-23(32(25)37)24-7-5-9-26(33(24)38)28-15-41-29(35(45-28)50-3)13-40-12-22-10-11-31(49)43-22/h4-9,14-15,22,40H,10-13,16-20H2,1-3H3,(H,39,44)(H,43,49)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452350 (US10710986, Example 488 | US11555029, No. 488) Show SMILES CNc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C36H39Cl2N9O3/c1-21(48)47-19-36(20-47)17-46(18-36)16-30-34(39-2)44-27(14-42-30)25-8-4-6-23(32(25)37)24-7-5-9-26(33(24)38)28-15-41-29(35(45-28)50-3)13-40-12-22-10-11-31(49)43-22/h4-9,14-15,22,40H,10-13,16-20H2,1-3H3,(H,39,44)(H,43,49)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair