BDBM304272 US10143746, Example 7155

SMILES: CCCC[C@H](N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CCl)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=XROKFVHYPYYDTG-KZYQKVCFSA-N

Data: 1 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 1 hit for monomerid = 304272   

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
Human PD-L1(aa 19-239)-TVMV-His (Homo sapiens (Human))	BDBM304272 (US10143746, Example 7155) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CCl)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C163H192ClN21O22S/c1-20-24-81-135(148(195)170-125(60-23-4)145(192)176-132(143(190)167-101-139(165)186)104-208-163(117-73-47-32-48-74-117,118-75-49-33-50-76-118)119-77-51-34-52-78-119)179(18)155(202)138(82-25-21-2)180(19)152(199)130(96-110-103-184(157(204)207-160(14,15)16)134-84-56-54-80-123(110)134)175-144(191)124(59-22-3)169-146(193)126(95-109-102-183(156(203)206-159(11,12)13)133-83-55-53-79-122(109)133)171-149(196)136-85-57-91-181(136)153(200)128(93-106(5)6)174-147(194)127(97-120-100-166-105-185(120)162(114-67-41-29-42-68-114,115-69-43-30-44-70-115)116-71-45-31-46-72-116)172-150(197)137-86-58-92-182(137)154(201)131(98-140(187)177-161(111-61-35-26-36-62-111,112-63-37-27-38-64-112)113-65-39-28-40-66-113)173-142(189)107(7)178(17)151(198)129(168-141(188)99-164)94-108-87-89-121(90-88-108)205-158(8,9)10/h22-23,26-56,61-80,83-84,87-90,100,102-103,105-107,124-132,135-138H,3-4,20-21,24-25,57-60,81-82,85-86,91-99,101,104H2,1-2,5-19H3,(H2,165,186)(H,167,190)(H,168,188)(H,169,193)(H,170,195)(H,171,196)(H,172,197)(H,173,189)(H,174,194)(H,175,191)(H,176,192)(H,177,187)/t107-,124-,125-,126-,127-,128-,129-,130-,131-,132-,135-,136-,137-,138-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...				US Patent US10143746 (2018) BindingDB Entry DOI: 10.7270/Q2TM7D6K
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